BindingDB logo
myBDB logout

PubChem AID 787

Compile data set for download or QSAR
Found 184 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement C1s


(Homo sapiens (Human))
BDBM32672
PNG
(MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...)
Show SMILES CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 380n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32801
PNG
(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Show SMILES O=C(c1ccc2OCOc2c1)n1nnc2ccccc12
Show InChI InChI=1S/C14H9N3O3/c18-14(9-5-6-12-13(7-9)20-8-19-12)17-11-4-2-1-3-10(11)15-16-17/h1-7H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 850n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32671
PNG
(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Show SMILES CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S2/c1-18-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-19-9/h2-7H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 880n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32796
PNG
(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
Show SMILES CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
Show InChI InChI=1S/C15H13N3O2S/c1-10-5-7-11(8-6-10)14(19)18-15(21-2)16-13(17-18)12-4-3-9-20-12/h3-9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 900n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32778
PNG
(MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.14E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32669
PNG
((3,4-dimethoxyphenyl)-[3-(2-furanyl)-5-(methylthio...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
Show InChI InChI=1S/C16H15N3O4S/c1-21-11-7-6-10(9-13(11)22-2)15(20)19-16(24-3)17-14(18-19)12-5-4-8-23-12/h4-9H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.37E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40382
PNG
(1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1...)
Show SMILES O=C(c1csc2CCCCc12)n1cccn1
Show InChI InChI=1S/C12H12N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h3,6-8H,1-2,4-5H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.83E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32765
PNG
(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Show SMILES O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H11N3O3/c1-2-11-23-17(22)13-8-4-3-7-12(13)16(21)20-15-10-6-5-9-14(15)18-19-20/h1,3-10H,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.26E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50077014
PNG
(2-Furan-2-yl-benzo[d][1,3]oxazin-4-one | CHEMBL244...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C12H7NO3/c14-12-8-4-1-2-5-9(8)13-11(16-12)10-6-3-7-15-10/h1-7H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 4.62E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32797
PNG
(2-furanyl-[3-(2-furanyl)-5-(methylthio)-1,2,4-tria...)
Show SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccco1
Show InChI InChI=1S/C12H9N3O3S/c1-19-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-18-9/h2-7H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.88E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32794
PNG
(1-benzoyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-in...)
Show SMILES Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2O2/c1-11-15-13(9-17(2,3)10-14(15)20)19(18-11)16(21)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.35E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32675
PNG
(1-(3-bromo-4-methoxybenzoyl)-1H-1,2,3-benzotriazol...)
Show SMILES COc1ccc(cc1Br)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H10BrN3O2/c1-20-13-7-6-9(8-10(13)15)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.59E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32758
PNG
(1,3-Bis-(furan-2-carbonyl)-5-methyl-2-oxo-2,3-dihy...)
Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
Show InChI InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.54E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32673
PNG
((4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl) fu...)
Show SMILES CCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12
Show InChI InChI=1S/C17H14O5/c1-3-11-9-15(18)21-13-7-10(2)8-14(16(11)13)22-17(19)12-5-4-6-20-12/h4-9H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.01E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32761
PNG
(2-furancarboxylic acid [5-amino-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O6S/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)24-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.13E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM33609
PNG
((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H14ClN5O3/c15-10-3-1-9(2-4-10)12(21)20-14(16)17-11(18-20)13(22)19-5-7-23-8-6-19/h1-4H,5-8H2,(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.21E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40847
PNG
(MLS000087424 | N-(2-phenylethyl)-4,5-dihydrobenzo[...)
Show SMILES O=C(NCCc1ccccc1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C20H18N2O2/c23-20(21-13-12-14-6-2-1-3-7-14)18-17-11-10-15-8-4-5-9-16(15)19(17)24-22-18/h1-9H,10-13H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.41E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32791
PNG
(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Show SMILES O=C(c1csc2ccccc12)n1cccn1
Show InChI InChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.49E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM33575
PNG
(1-(2-furoyl)-3-(4-methoxyphenyl)-5-(methylthio)-1H...)
Show SMILES COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)c1ccco1
Show InChI InChI=1S/C15H13N3O3S/c1-20-11-7-5-10(6-8-11)13-16-15(22-2)18(17-13)14(19)12-4-3-9-21-12/h3-9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.56E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32762
PNG
((4-methoxycarbonylphenyl) furan-2-carboxylate | 2-...)
Show SMILES COC(=O)c1ccc(OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C13H10O5/c1-16-12(14)9-4-6-10(7-5-9)18-13(15)11-3-2-8-17-11/h2-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.71E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32798
PNG
((2-acetyl-1-methylindol-3-yl) furan-2-carboxylate ...)
Show SMILES CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
Show InChI InChI=1S/C16H13NO4/c1-10(18)14-15(21-16(19)13-8-5-9-20-13)11-6-3-4-7-12(11)17(14)2/h3-9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.60E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32787
PNG
(1-[2-(ethylthio)benzoyl]-1H-1,2,3-benzotriazole | ...)
Show SMILES CCSc1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C15H13N3OS/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.10E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40854
PNG
(MLS000090237 | N-[3-(4-keto-3,1-benzoxazin-2-yl)ph...)
Show SMILES CCC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C17H14N2O3/c1-2-15(20)18-12-7-5-6-11(10-12)16-19-14-9-4-3-8-13(14)17(21)22-16/h3-10H,2H2,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.47E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40886
PNG
(3-(2-furanyl)-4-oxido-1-(2-pyridinylmethoxy)-2-qui...)
Show SMILES [O-][n+]1c(-c2ccco2)c(=O)n(OCc2ccccn2)c2ccccc12
Show InChI InChI=1S/C18H13N3O4/c22-18-17(16-9-5-11-24-16)20(23)14-7-1-2-8-15(14)21(18)25-12-13-6-3-4-10-19-13/h1-11H,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.79E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40798
PNG
(MLS000068397 | N-(6-Pentanoylamino-pyridin-3-yl)-n...)
Show SMILES CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1
Show InChI InChI=1S/C16H18N4O2/c1-2-3-6-15(21)20-14-8-7-13(11-18-14)19-16(22)12-5-4-9-17-10-12/h4-5,7-11H,2-3,6H2,1H3,(H,19,22)(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40806
PNG
((10Z)-8,8-dimethyl-10-(methylaminomethylene)pyrano...)
Show SMILES CNC=C1C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12
Show InChI InChI=1S/C16H15NO4/c1-16(2)15(19)10(8-17-3)13-11(21-16)6-4-9-5-7-12(18)20-14(9)13/h4-8,17H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40814
PNG
(2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-...)
Show SMILES O=c1cc(nc2nc([nH]n12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O/c22-15-11-14(12-7-3-1-4-8-12)18-17-19-16(20-21(15)17)13-9-5-2-6-10-13/h1-11H,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40828
PNG
(3-(1-azepanylsulfonyl)-N-(4-thiophen-2-yl-2-thiazo...)
Show SMILES O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H21N3O3S3/c24-19(22-20-21-17(14-28-20)18-9-6-12-27-18)15-7-5-8-16(13-15)29(25,26)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40840
PNG
(5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazo...)
Show SMILES COc1ccc(CNC(=O)c2cc(on2)-c2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C20H20N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)16-11-18(27-22-16)14-6-9-17(25-2)19(10-14)26-3/h4-11H,12H2,1-3H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40843
PNG
(2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)meth...)
Show SMILES Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1
Show InChI InChI=1S/C14H18N2O2S2/c1-9-5-11(3)14(6-10(9)2)20(17,18)15-7-13-8-19-12(4)16-13/h5-6,8,15H,7H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM38968
PNG
(MLS000086346 | N-[5-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES CC1(C)COCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(Cl)s1
Show InChI InChI=1S/C18H17ClN4O5S2/c1-18(2)9-27-10-23(18)30(25,26)12-5-3-11(4-6-12)15(24)20-17-22-21-16(28-17)13-7-8-14(19)29-13/h3-8H,9-10H2,1-2H3,(H,20,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40849
PNG
(2-[(2-keto-2-p-cumenyl-ethyl)thio]-6-methyl-1H-pyr...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H18N2O2S/c1-10(2)12-4-6-13(7-5-12)14(19)9-21-16-17-11(3)8-15(20)18-16/h4-8,10H,9H2,1-3H3,(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40850
PNG
(7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,7-di...)
Show SMILES COc1cccc(c1)C1=Nc2nnnn2C(C1)c1cccc(OC)c1OC
Show InChI InChI=1S/C19H19N5O3/c1-25-13-7-4-6-12(10-13)15-11-16(24-19(20-15)21-22-23-24)14-8-5-9-17(26-2)18(14)27-3/h4-10,16H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40853
PNG
(2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]p...)
Show SMILES CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C23H28N4O5/c1-2-30-19-6-3-17(4-7-19)24-22(28)14-26-9-11-27(12-10-26)15-23(29)25-18-5-8-20-21(13-18)32-16-31-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,24,28)(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40855
PNG
(4-methyl-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H19N3O3S2/c1-12-5-6-13(15(20)18-16-17-7-10-23-16)11-14(12)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40862
PNG
(4-(1-piperidinyl)-N1-[2-(trifluoromethyl)phenyl]pi...)
Show SMILES NC(=O)C1(CCN(CC1)C(=O)Nc1ccccc1C(F)(F)F)N1CCCCC1
Show InChI InChI=1S/C19H25F3N4O2/c20-19(21,22)14-6-2-3-7-15(14)24-17(28)25-12-8-18(9-13-25,16(23)27)26-10-4-1-5-11-26/h2-3,6-7H,1,4-5,8-13H2,(H2,23,27)(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40874
PNG
(1-(2-chlorophenyl)-3-(3-methoxyphenyl)tetrahydro-1...)
Show SMILES COc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17ClN2O4S/c1-25-13-6-4-5-12(9-13)20-16-10-26(23,24)11-17(16)21(18(20)22)15-8-3-2-7-14(15)19/h2-9,16-17H,10-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40885
PNG
(MLS000049608 | N-(1,1-diketothiolan-3-yl)-3-piperi...)
Show SMILES O=C(NC1CCS(=O)(=O)C1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C16H22N2O5S2/c19-16(17-14-7-10-24(20,21)12-14)13-5-4-6-15(11-13)25(22,23)18-8-2-1-3-9-18/h4-6,11,14H,1-3,7-10,12H2,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40891
PNG
(4-butyl-3-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1cc(Cl)ccc1OC
Show InChI InChI=1S/C13H16ClN3OS/c1-3-4-7-17-12(15-16-13(17)19)10-8-9(14)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40901
PNG
(2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]phenoxy]ace...)
Show SMILES CCOC(=O)COc1ccc(cc1)S(=O)(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C18H25NO5S/c1-2-23-18(20)14-24-16-8-10-17(11-9-16)25(21,22)19-13-12-15-6-4-3-5-7-15/h6,8-11,19H,2-5,7,12-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40909
PNG
(5-(2-chlorophenyl)-7-(4-ethylphenyl)-1,5,6,7-tetra...)
Show SMILES CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccccc1Cl
Show InChI InChI=1S/C19H20ClN5/c1-2-12-7-9-13(10-8-12)17-11-16(14-5-3-4-6-15(14)20)22-19-23-18(21)24-25(17)19/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40910
PNG
(7-(3-chlorophenyl)-5-(4-ethoxyphenyl)-1,5,6,7-tetr...)
Show SMILES CCOc1ccc(cc1)C1CC(c2cccc(Cl)c2)n2nc(N)nc2N1
Show InChI InChI=1S/C19H20ClN5O/c1-2-26-15-8-6-12(7-9-15)16-11-17(13-4-3-5-14(20)10-13)25-19(22-16)23-18(21)24-25/h3-10,16-17H,2,11H2,1H3,(H3,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40916
PNG
((2,4-dimethoxyphenyl)-(2,5-dimethyl-[1,2,4]triazol...)
Show SMILES COc1ccc(Nc2cc(C)nc3nc(C)nn23)c(OC)c1
Show InChI InChI=1S/C15H17N5O2/c1-9-7-14(20-15(16-9)17-10(2)19-20)18-12-6-5-11(21-3)8-13(12)22-4/h5-8,18H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40921
PNG
(7,10-dimethyl-1,2,3,4-tetrahydro-[1]benzofuro[6,5-...)
Show SMILES Cc1coc2c(C)c3oc(=O)c4CCCCc4c3cc12
Show InChI InChI=1S/C17H16O3/c1-9-8-19-15-10(2)16-14(7-13(9)15)11-5-3-4-6-12(11)17(18)20-16/h7-8H,3-6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM37254
PNG
(10-phenothiazinecarbothioic acid S-(5-methyl-1,3,4...)
Show SMILES Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
Show InChI InChI=1S/C16H11N3OS3/c1-10-17-18-15(21-10)23-16(20)19-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)19/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40791
PNG
(2-furancarboxylic acid [4-(1-tetrazolyl)phenyl] es...)
Show SMILES O=C(Oc1ccc(cc1)-n1cnnn1)c1ccco1
Show InChI InChI=1S/C12H8N4O3/c17-12(11-2-1-7-18-11)19-10-5-3-9(4-6-10)16-8-13-14-15-16/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40797
PNG
(MLS000075926 | N-(5-Chloro-2-methoxy-phenyl)-3-(4-...)
Show SMILES COc1ccc(Cl)cc1NC(=O)CCN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C21H26ClN3O2/c1-16-5-3-4-6-19(16)25-13-11-24(12-14-25)10-9-21(26)23-18-15-17(22)7-8-20(18)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40802
PNG
(3-(4-Methyl-piperidine-1-sulfonyl)-N-thiophen-2-yl...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NCc1cccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40804
PNG
(2-(6-amino-1'-benzyl-5-cyano-2'-keto-spiro[2H-pyra...)
Show SMILES COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C3(C(=O)N(Cc4ccccc4)c4ccccc34)c12
Show InChI InChI=1S/C24H19N5O4/c1-32-19(30)11-17-20-22(28-27-17)33-21(26)16(12-25)24(20)15-9-5-6-10-18(15)29(23(24)31)13-14-7-3-2-4-8-14/h2-10,16,26H,11,13H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40493
PNG
(HEXESTROL DIPROPIONATE | MLS000028406 | SMR0000583...)
Show SMILES CCC(C(CC)c1ccc(OC(=O)CC)cc1)c1ccc(OC(=O)CC)cc1
Show InChI InChI=1S/C24H30O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16,21-22H,5-8H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40810
PNG
(3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-t...)
Show SMILES Oc1ccc(cc1)\N=C1/SCC(=O)N1c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-12-5-1-10(2-6-12)16-15-17(14(20)9-21-15)11-3-7-13(19)8-4-11/h1-8,18-19H,9H2/b16-15-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40815
PNG
((4E)-1-[2-(dimethylamino)ethyl]-4-[[4-[(3-methylph...)
Show SMILES CN(C)CCN1C(C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)C(=O)C1=O)c1ccncc1
Show InChI InChI=1S/C28H29N3O4/c1-19-5-4-6-20(17-19)18-35-23-9-7-22(8-10-23)26(32)24-25(21-11-13-29-14-12-21)31(16-15-30(2)3)28(34)27(24)33/h4-14,17,24-25H,15-16,18H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40829
PNG
(1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)o1
Show InChI InChI=1S/C24H29N3O6S/c1-14-9-18(15(2)27(14)12-17-7-6-8-32-17)19(28)13-34-24-26-25-23(33-24)16-10-20(29-3)22(31-5)21(11-16)30-4/h9-11,17H,6-8,12-13H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40851
PNG
(2-[[5-(3,4-dimethoxyphenyl)isoxazole-3-carbonyl]am...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H18N2O6/c1-25-16-9-8-12(10-18(16)26-2)17-11-15(22-28-17)19(23)21-14-7-5-4-6-13(14)20(24)27-3/h4-11H,1-3H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40852
PNG
((4-benzylpiperazin-1-yl)-(1-propylsulfonylpiperidi...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H31N3O3S/c1-2-16-27(25,26)23-10-8-19(9-11-23)20(24)22-14-12-21(13-15-22)17-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40858
PNG
(5-(4-bromophenyl)-N-isopropyl-isoxazole-3-carboxam...)
Show SMILES CC(C)NC(=O)c1cc(on1)-c1ccc(Br)cc1
Show InChI InChI=1S/C13H13BrN2O2/c1-8(2)15-13(17)11-7-12(18-16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40863
PNG
(2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(p-tolyl)-6...)
Show SMILES Cc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2CCSc2c1=O
Show InChI InChI=1S/C19H21N3O2S2/c1-13-4-6-14(7-5-13)22-18(24)17-15(8-11-25-17)20-19(22)26-12-16(23)21-9-2-3-10-21/h4-7H,2-3,8-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40865
PNG
(MLS000058874 | N-(3,4-dimethoxyphenyl)-2-thiophene...)
Show SMILES COc1ccc(NC(=O)c2cccs2)cc1OC
Show InChI InChI=1S/C13H13NO3S/c1-16-10-6-5-9(8-11(10)17-2)14-13(15)12-4-3-7-18-12/h3-8H,1-2H3,(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40871
PNG
(1-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperaz...)
Show SMILES CCOc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)c2ccccc2F)c1O
Show InChI InChI=1S/C22H24FN3O3/c1-2-29-17-9-7-16(8-10-17)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)19-6-4-3-5-18(19)23/h3-10,15,27-28H,2,11-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40872
PNG
(1-(3,4,5-triethoxybenzoyl)isonipecotic acid ethyl ...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1
Show InChI InChI=1S/C21H31NO6/c1-5-25-17-13-16(14-18(26-6-2)19(17)27-7-3)20(23)22-11-9-15(10-12-22)21(24)28-8-4/h13-15H,5-12H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM34428
PNG
((3-hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]...)
Show SMILES Oc1cccc(c1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H20N2OS/c21-17-8-4-7-16(13-17)18(22)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13,21H,9-12,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40881
PNG
(5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trif...)
Show SMILES Cc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)C2CC2)no1
Show InChI InChI=1S/C15H12F3N5O2/c1-7-4-12(22-25-7)20-14(24)10-6-13-19-9(8-2-3-8)5-11(15(16,17)18)23(13)21-10/h4-6,8H,2-3H2,1H3,(H,20,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40887
PNG
(2-[5-[2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl...)
Show SMILES CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1
Show InChI InChI=1S/C20H21N7O3S2/c1-4-13(18(29)22-20-25-23-14(32-20)10-15(28)30-5-2)31-19-21-17-16(24-26-19)11-8-6-7-9-12(11)27(17)3/h6-9,13H,4-5,10H2,1-3H3,(H,22,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40894
PNG
(4-ethyl-3-[2-(2-methyl-1-imidazolyl)ethyl]-1H-1,2,...)
Show SMILES CCn1c(CCn2ccnc2C)n[nH]c1=S
Show InChI InChI=1S/C10H15N5S/c1-3-15-9(12-13-10(15)16)4-6-14-7-5-11-8(14)2/h5,7H,3-4,6H2,1-2H3,(H,13,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40896
PNG
(3-(4-methylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H19N3O3S2/c1-12-5-8-19(9-6-12)24(21,22)14-4-2-3-13(11-14)15(20)18-16-17-7-10-23-16/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40900
PNG
(2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamid...)
Show SMILES CC(C)(C)c1cc(ccn1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-17(2,3)15-11-14(9-10-18-15)16(20)19-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40904
PNG
((3-bromanyl-4-methoxy-phenyl)-(3-methylpyrazol-1-y...)
Show SMILES COc1ccc(cc1Br)C(=O)n1ccc(C)n1
Show InChI InChI=1S/C12H11BrN2O2/c1-8-5-6-15(14-8)12(16)9-3-4-11(17-2)10(13)7-9/h3-7H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM33603
PNG
(1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazo...)
Show SMILES CCCC(=O)n1nc(nc1SCc1ccccc1)-c1ccco1
Show InChI InChI=1S/C17H17N3O2S/c1-2-7-15(21)20-17(23-12-13-8-4-3-5-9-13)18-16(19-20)14-10-6-11-22-14/h3-6,8-11H,2,7,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40929
PNG
(5-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-2-fur...)
Show SMILES CCOC(=O)c1ccc(CSc2nncn2N)o1
Show InChI InChI=1S/C10H12N4O3S/c1-2-16-9(15)8-4-3-7(17-8)5-18-10-13-12-6-14(10)11/h3-4,6H,2,5,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40795
PNG
(2-Biphenyl-4-yl-N-(2-morpholin-4-yl-ethyl)-acetami...)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)NCCN1CCOCC1
Show InChI InChI=1S/C20H24N2O2/c23-20(21-10-11-22-12-14-24-15-13-22)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9H,10-16H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40799
PNG
(2-Methyl-2H-pyrazole-3-carboxylic acid (1,3,5-trim...)
Show SMILES Cc1nn(C)c(C)c1NC(=O)c1ccnn1C
Show InChI InChI=1S/C11H15N5O/c1-7-10(8(2)15(3)14-7)13-11(17)9-5-6-12-16(9)4/h5-6H,1-4H3,(H,13,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40831
PNG
((4-ethylpiperazino)methylene-(4,5,6,7-tetrahydro-1...)
Show SMILES CCN1CCN(CC1)C=Nc1nc2CCCCc2s1
Show InChI InChI=1S/C14H22N4S/c1-2-17-7-9-18(10-8-17)11-15-14-16-12-5-3-4-6-13(12)19-14/h11H,2-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM37013
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(2-methoxyeth...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C
Show InChI InChI=1S/C18H20N2O3S/c1-12-10-14(13(2)20(12)8-9-22-3)16(21)11-24-18-19-15-6-4-5-7-17(15)23-18/h4-7,10H,8-9,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM31019
PNG
(MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...)
Show SMILES CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
Show InChI InChI=1S/C27H34N6O3/c1-5-25-29-33(27(35)23-17-24-22(32(23)25)9-16-36-24)20(4)26(34)28-10-11-30-12-14-31(15-13-30)21-8-6-7-18(2)19(21)3/h6-9,16-17,20H,5,10-15H2,1-4H3,(H,28,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40864
PNG
(2-(cyclohexylthio)-N-(4-methoxyphenyl)acetamide | ...)
Show SMILES COc1ccc(NC(=O)CSC2CCCCC2)cc1
Show InChI InChI=1S/C15H21NO2S/c1-18-13-9-7-12(8-10-13)16-15(17)11-19-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40866
PNG
(4-(2-carbomethoxyanilino)-4-keto-2-(3-methoxypropy...)
Show SMILES COCCCNC(CC(=O)Nc1ccccc1C(=O)OC)C(O)=O
Show InChI InChI=1S/C16H22N2O6/c1-23-9-5-8-17-13(15(20)21)10-14(19)18-12-7-4-3-6-11(12)16(22)24-2/h3-4,6-7,13,17H,5,8-10H2,1-2H3,(H,18,19)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40877
PNG
(2'-(1,3-benzoxazol-2-ylamino)-7',8'-di...)
Show SMILES O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)C12
Show InChI InChI=1S/C20H22N4O2/c25-15-9-6-8-14-17(15)20(11-4-1-5-12-20)24-18(21-14)23-19-22-13-7-2-3-10-16(13)26-19/h2-3,7,10,17H,1,4-6,8-9,11-12H2,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40878
PNG
(MLS000065413 | N-cyclopentyl-3-(1-piperidinylsulfo...)
Show SMILES O=C(NC1CCCC1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H24N2O3S/c20-17(18-15-8-2-3-9-15)14-7-6-10-16(13-14)23(21,22)19-11-4-1-5-12-19/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40883
PNG
(MLS000066131 | N-(3,4-dimethylphenyl)-2-methyl-5-(...)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCOCC2)cc1C
Show InChI InChI=1S/C20H24N2O4S/c1-14-5-7-18(12-16(14)3)21-27(24,25)19-13-17(6-4-15(19)2)20(23)22-8-10-26-11-9-22/h4-7,12-13,21H,8-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM39275
PNG
(2,3,4,5,6-pentafluoro-N-(3-fluorophenyl)benzamide ...)
Show SMILES Fc1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
Show InChI InChI=1S/C13H5F6NO/c14-5-2-1-3-6(4-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40892
PNG
(5-(4-methylphenyl)-N-(2-pyridinylmethyl)-3-isoxazo...)
Show SMILES Cc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C17H15N3O2/c1-12-5-7-13(8-6-12)16-10-15(20-22-16)17(21)19-11-14-4-2-3-9-18-14/h2-10H,11H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40895
PNG
(3-(1-o-anisyl-2-piperidyl)pyridine | 3-[1-(2-metho...)
Show SMILES COc1ccccc1CN1CCCCC1c1cccnc1
Show InChI InChI=1S/C18H22N2O/c1-21-18-10-3-2-7-16(18)14-20-12-5-4-9-17(20)15-8-6-11-19-13-15/h2-3,6-8,10-11,13,17H,4-5,9,12,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40908
PNG
(MLS000118537 | N-(2,3-dimethylphenyl)-2,4-dimethyl...)
Show SMILES Cc1nc(C)c(o1)C(=O)Nc1cccc(C)c1C
Show InChI InChI=1S/C14H16N2O2/c1-8-6-5-7-12(9(8)2)16-14(17)13-10(3)15-11(4)18-13/h5-7H,1-4H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM38667
PNG
((2R)-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetic aci...)
Show SMILES OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40913
PNG
(MLS000116425 | N-(4-fluorobenzyl)-7-methoxy-4,5-di...)
Show SMILES COc1ccc2-c3onc(C(=O)NCc4ccc(F)cc4)c3CCc2c1
Show InChI InChI=1S/C20H17FN2O3/c1-25-15-7-9-16-13(10-15)4-8-17-18(23-26-19(16)17)20(24)22-11-12-2-5-14(21)6-3-12/h2-3,5-7,9-10H,4,8,11H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40930
PNG
(2-methyl-5-(2-thienyl)thieno[2,3-d][1,3]oxazin-4-o...)
Show SMILES Cc1nc2scc(-c3cccs3)c2c(=O)o1
Show InChI InChI=1S/C11H7NO2S2/c1-6-12-10-9(11(13)14-6)7(5-16-10)8-3-2-4-15-8/h2-5H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40933
PNG
(MLS000105054 | N-(5-acetamido-2-thienyl)acetamide ...)
Show SMILES CC(=O)Nc1ccc(NC(C)=O)s1
Show InChI InChI=1S/C8H10N2O2S/c1-5(11)9-7-3-4-8(13-7)10-6(2)12/h3-4H,1-2H3,(H,9,11)(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32755
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40796
PNG
(MLS000075075 | N-(2-Oxo-2H-chromen-6-yl)-nicotinam...)
Show SMILES O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1
Show InChI InChI=1S/C15H10N2O3/c18-14-6-3-10-8-12(4-5-13(10)20-14)17-15(19)11-2-1-7-16-9-11/h1-9H,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40800
PNG
(MLS000068710 | N-Cyclohexyl-4-[4-(furan-2-carbonyl...)
Show SMILES O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1
Show InChI InChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40808
PNG
(2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid...)
Show SMILES CN(C)c1ccc(C(=O)c2ccccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40809
PNG
(2-(4-carboxybutanoylamino)benzoic acid | 2-[(4-car...)
Show SMILES OC(=O)CCCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C12H13NO5/c14-10(6-3-7-11(15)16)13-9-5-2-1-4-8(9)12(17)18/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40816
PNG
(8-ethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrim...)
Show SMILES CCOc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C21H22N6O/c1-2-28-15-6-7-17-16(13-15)19-20(25-17)21(24-14-23-19)27-11-9-26(10-12-27)18-5-3-4-8-22-18/h3-8,13-14,25H,2,9-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40817
PNG
((2-oxidanylidene-1H-quinolin-3-yl)methyl 2-(4-meth...)
Show SMILES COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C19H17NO4/c1-23-16-8-6-13(7-9-16)10-18(21)24-12-15-11-14-4-2-3-5-17(14)20-19(15)22/h2-9,11H,10,12H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40827
PNG
(4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-piperidin...)
Show SMILES Cc1csc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)n1
Show InChI InChI=1S/C17H21N3O3S2/c1-12-6-7-14(16(21)19-17-18-13(2)11-24-17)10-15(12)25(22,23)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40838
PNG
(7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...)
Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40856
PNG
(1-(diisobutylsulfamoyl)-N-(4-fluorobenzyl)isonipec...)
Show SMILES CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H34FN3O3S/c1-16(2)14-25(15-17(3)4)29(27,28)24-11-9-19(10-12-24)21(26)23-13-18-5-7-20(22)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40876
PNG
(MLS000097195 | N-[3-methoxy-4-(1-oxopentylamino)ph...)
Show SMILES CCCCC(=O)Nc1ccc(NC(=O)c2ccc3OCOc3c2)cc1OC
Show InChI InChI=1S/C20H22N2O5/c1-3-4-5-19(23)22-15-8-7-14(11-17(15)25-2)21-20(24)13-6-9-16-18(10-13)27-12-26-16/h6-11H,3-5,12H2,1-2H3,(H,21,24)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40899
PNG
(4-ethyl-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)meth...)
Show SMILES CCc1c(C)scc1C(=O)NCc1cnn(C)c1
Show InChI InChI=1S/C13H17N3OS/c1-4-11-9(2)18-8-12(11)13(17)14-5-10-6-15-16(3)7-10/h6-8H,4-5H2,1-3H3,(H,14,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40903
PNG
(MLS000065416 | N-(2-furanylmethyl)-3-(1-piperidiny...)
Show SMILES O=C(NCc1ccco1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O4S/c20-17(18-13-15-7-5-11-23-15)14-6-4-8-16(12-14)24(21,22)19-9-2-1-3-10-19/h4-8,11-12H,1-3,9-10,13H2,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40925
PNG
(3-(1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-y...)
Show SMILES CC1(C)N(O)C(N=C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C16H17N3O/c1-16(2)14(12-7-4-3-5-8-12)18-15(19(16)20)13-9-6-10-17-11-13/h3-11,15,20H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40927
PNG
(5-amino-1-(cyclohexylmethyl)-4-pyrazolecarbonitril...)
Show SMILES Nc1c(cnn1CC1CCCCC1)C#N
Show InChI InChI=1S/C11H16N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h7,9H,1-5,8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40931
PNG
(2-pyrazinecarboxylic acid [2-(4-benzoyloxyphenyl)-...)
Show SMILES O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H14N2O5/c23-18(13-26-20(25)17-12-21-10-11-22-17)14-6-8-16(9-7-14)27-19(24)15-4-2-1-3-5-15/h1-12H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40805
PNG
(4-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H29N3O5S/c1-4-31-23(28)25-14-12-24(13-15-25)22(27)17-26(20-7-5-6-19(3)16-20)32(29,30)21-10-8-18(2)9-11-21/h5-11,16H,4,12-15,17H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40821
PNG
(1-methyl-3-phenyl-8-(tetrahydrofurfurylamino)-7H-p...)
Show SMILES Cn1c(=O)n(-c2ccccc2)c2nc(NCC3CCCO3)[nH]c2c1=O
Show InChI InChI=1S/C17H19N5O3/c1-21-15(23)13-14(22(17(21)24)11-6-3-2-4-7-11)20-16(19-13)18-10-12-8-5-9-25-12/h2-4,6-7,12H,5,8-10H2,1H3,(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40822
PNG
(3-(1-piperidinylsulfonyl)-N-(4-thiophen-2-yl-2-thi...)
Show SMILES O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C19H19N3O3S3/c23-18(21-19-20-16(13-27-19)17-8-5-11-26-17)14-6-4-7-15(12-14)28(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40824
PNG
((5-methyl-2-thiazolin-2-yl)-(1-naphthyl)amine | 5-...)
Show SMILES CC1CNC(S1)=Nc1cccc2ccccc12
Show InChI InChI=1S/C14H14N2S/c1-10-9-15-14(17-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9H2,1H3,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40830
PNG
((4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,...)
Show SMILES COc1ccc(cc1OC)C(=O)OCn1nnc2ccccc2c1=O
Show InChI InChI=1S/C17H15N3O5/c1-23-14-8-7-11(9-15(14)24-2)17(22)25-10-20-16(21)12-5-3-4-6-13(12)18-19-20/h3-9H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40832
PNG
((3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(2-phenylet...)
Show SMILES Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C21H20N2O4/c1-14-18(15(2)27-23-14)13-26-21(25)17-10-6-7-11-19(17)22-20(24)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40836
PNG
(4-methyl-2-[(2-methyl-5-morpholinosulfonyl-benzoyl...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2cc(ccc2C)S(=O)(=O)N2CCOCC2)nc1C
Show InChI InChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40839
PNG
(4-N-(4-methoxyphenyl)-5-N-(2-methylphenyl)-1H-imid...)
Show SMILES COc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C19H18N4O3/c1-12-5-3-4-6-15(12)23-19(25)17-16(20-11-21-17)18(24)22-13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40857
PNG
(5-(o-tolylsulfonylmethyl)-N-(3-pyridylmethyl)-2-fu...)
Show SMILES Cc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C19H18N2O4S/c1-14-5-2-3-7-18(14)26(23,24)13-16-8-9-17(25-16)19(22)21-12-15-6-4-10-20-11-15/h2-11H,12-13H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM33574
PNG
(1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazo...)
Show SMILES CCC(=O)n1nc(nc1SCc1ccccc1)-c1ccco1
Show InChI InChI=1S/C16H15N3O2S/c1-2-14(20)19-16(22-11-12-7-4-3-5-8-12)17-15(18-19)13-9-6-10-21-13/h3-10H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40884
PNG
(MLS000062068 | N-(4-chlorophenyl)-1,3-benzodioxole...)
Show SMILES Clc1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C14H10ClNO3/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12/h1-7H,8H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40888
PNG
(2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-furylmethy...)
Show SMILES Cc1cc(C)c2c(CC(=O)NCc3ccco3)coc2c1
Show InChI InChI=1S/C17H17NO3/c1-11-6-12(2)17-13(10-21-15(17)7-11)8-16(19)18-9-14-4-3-5-20-14/h3-7,10H,8-9H2,1-2H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40905
PNG
(MLS000118585 | N-(2-chlorobenzyl)-2-[[5-[(2-keto-1...)
Show SMILES Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C20H18ClN5O2S2/c1-25-17(11-26-15-8-4-5-9-16(15)30-20(26)28)23-24-19(25)29-12-18(27)22-10-13-6-2-3-7-14(13)21/h2-9H,10-12H2,1H3,(H,22,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40912
PNG
(MLS000116117 | N-(1,3-benzodioxol-5-yl)-2-(3-methy...)
Show SMILES CC1CCCN(C1)C(C(=O)Nc1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C21H24N2O3/c1-15-6-5-11-23(13-15)20(16-7-3-2-4-8-16)21(24)22-17-9-10-18-19(12-17)26-14-25-18/h2-4,7-10,12,15,20H,5-6,11,13-14H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40919
PNG
(2-methyl-5-[[4-(phenylmethyl)-1-piperazinyl]-thiop...)
Show SMILES Cc1nc2sc(C(N3CCN(Cc4ccccc4)CC3)c3cccs3)c(O)n2n1
Show InChI InChI=1S/C21H23N5OS2/c1-15-22-21-26(23-15)20(27)19(29-21)18(17-8-5-13-28-17)25-11-9-24(10-12-25)14-16-6-3-2-4-7-16/h2-8,13,18,27H,9-12,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40923
PNG
(3-(1-piperidinylsulfonyl)-N-(2-pyridinyl)benzamide...)
Show SMILES O=C(Nc1ccccn1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H19N3O3S/c21-17(19-16-9-2-3-10-18-16)14-7-6-8-15(13-14)24(22,23)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40924
PNG
(MLS000108918 | N-(4-methyl-1,3-thiazol-2-yl)furan-...)
Show SMILES Cc1csc(NC(=O)c2ccco2)n1
Show InChI InChI=1S/C9H8N2O2S/c1-6-5-14-9(10-6)11-8(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40926
PNG
((5Z)-5-(1-butyl-2-keto-indolin-3-ylidene)-2-piperi...)
Show SMILES CCCCN1C(=O)\C(=C2/SC(=NC2=O)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C20H23N3O2S/c1-2-3-13-23-15-10-6-5-9-14(15)16(19(23)25)17-18(24)21-20(26-17)22-11-7-4-8-12-22/h5-6,9-10H,2-4,7-8,11-13H2,1H3/b17-16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40793
PNG
(MLS000076142 | N-(5-chloranyl-2-morpholin-4-yl-phe...)
Show SMILES Clc1ccc(N2CCOCC2)c(NC(=O)c2cnccn2)c1
Show InChI InChI=1S/C15H15ClN4O2/c16-11-1-2-14(20-5-7-22-8-6-20)12(9-11)19-15(21)13-10-17-3-4-18-13/h1-4,9-10H,5-8H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40819
PNG
(3,5-dimethoxy-N-(7-methyl-5-oxidanylidene-7,8-dihy...)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ncc2C(=O)CC(C)Cc2n1
Show InChI InChI=1S/C18H19N3O4/c1-10-4-15-14(16(22)5-10)9-19-18(20-15)21-17(23)11-6-12(24-2)8-13(7-11)25-3/h6-10H,4-5H2,1-3H3,(H,19,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40823
PNG
(4-chloranyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazo...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C14H14ClN3O4S2/c15-11-2-1-10(13(19)17-14-16-3-8-23-14)9-12(11)24(20,21)18-4-6-22-7-5-18/h1-3,8-9H,4-7H2,(H,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM39380
PNG
(3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylpheny...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-28(26,27)19-5-3-4-17(14-19)20(25)23-12-10-22(11-13-23)16(2)24/h3-9,14,21H,10-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40837
PNG
(MLS000058185 | N-(4-methyl-1,3-thiazol-2-yl)-3-pip...)
Show SMILES Cc1csc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)n1
Show InChI InChI=1S/C16H19N3O3S2/c1-12-11-23-16(17-12)18-15(20)13-6-5-7-14(10-13)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40845
PNG
(MLS000093437 | N-(1,1-diketo-2,3-dihydrothiophen-3...)
Show SMILES CCc1ccccc1N(C1CS(=O)(=O)C=C1)C(=O)c1cccs1
Show InChI InChI=1S/C17H17NO3S2/c1-2-13-6-3-4-7-15(13)18(14-9-11-23(20,21)12-14)17(19)16-8-5-10-22-16/h3-11,14H,2,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40846
PNG
(MLS000085289 | N-(1,3-benzodioxol-5-yl)-4-(1-oxopr...)
Show SMILES CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C17H16N2O4/c1-2-16(20)18-12-5-3-11(4-6-12)17(21)19-13-7-8-14-15(9-13)23-10-22-14/h3-9H,2,10H2,1H3,(H,18,20)(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40860
PNG
(5-keto-N-[2-(p-tolyl)ethyl]-1-(3-pyridylmethyl)pyr...)
Show SMILES Cc1ccc(CCNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1
Show InChI InChI=1S/C20H23N3O2/c1-15-4-6-16(7-5-15)10-12-22-20(25)18-8-9-19(24)23(18)14-17-3-2-11-21-13-17/h2-7,11,13,18H,8-10,12,14H2,1H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40861
PNG
(1-(2-chlorophenyl)-5-[4-(4-ethyl-1-piperazinyl)phe...)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-n1c(C)nc2n(ncc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C24H25ClN6O/c1-3-28-12-14-29(15-13-28)18-8-10-19(11-9-18)30-17(2)27-23-20(24(30)32)16-26-31(23)22-7-5-4-6-21(22)25/h4-11,16H,3,12-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40868
PNG
(2-(2-furanyl)-5,6-dimethyl-4-thieno[2,3-d][1,3]oxa...)
Show SMILES Cc1sc2nc(oc(=O)c2c1C)-c1ccco1
Show InChI InChI=1S/C12H9NO3S/c1-6-7(2)17-11-9(6)12(14)16-10(13-11)8-4-3-5-15-8/h3-5H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40873
PNG
(2-(3-acetyl-1-indolyl)-N-(1,3-benzodioxol-5-ylmeth...)
Show SMILES CC(=O)c1cn(CC(=O)NCc2ccc3OCOc3c2)c2ccccc12
Show InChI InChI=1S/C20H18N2O4/c1-13(23)16-10-22(17-5-3-2-4-15(16)17)11-20(24)21-9-14-6-7-18-19(8-14)26-12-25-18/h2-8,10H,9,11-12H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40879
PNG
(2-(3-benzamidophenoxy)acetic acid methyl ester | M...)
Show SMILES COC(=O)COc1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H15NO4/c1-20-15(18)11-21-14-9-5-8-13(10-14)17-16(19)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40882
PNG
(2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-4-...)
Show SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)scc1-c1ccc(C)o1
Show InChI InChI=1S/C20H27N3O4S/c1-4-22-8-10-23(11-9-22)12-17(24)21-19-18(20(25)26-5-2)15(13-28-19)16-7-6-14(3)27-16/h6-7,13H,4-5,8-12H2,1-3H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40890
PNG
(4-{[(acetylamino)carbonyl]amino}tetrahydro-3-thien...)
Show SMILES CC(=O)NC(=O)NC1CSCC1OC(C)=O
Show InChI InChI=1S/C9H14N2O4S/c1-5(12)10-9(14)11-7-3-16-4-8(7)15-6(2)13/h7-8H,3-4H2,1-2H3,(H2,10,11,12,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40893
PNG
(1-(2-furoyl)benzo[cd]indol-2(1H)-one | 1-(2-furoyl...)
Show SMILES O=C(N1C(=O)c2cccc3cccc1c23)c1ccco1
Show InChI InChI=1S/C16H9NO3/c18-15-11-6-1-4-10-5-2-7-12(14(10)11)17(15)16(19)13-8-3-9-20-13/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40906
PNG
(MLS000116175 | N-[2-[benzyl(methyl)amino]ethyl]-2-...)
Show SMILES CN(CCNC(=O)Cn1c2ccccc2sc1=O)Cc1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-21(13-15-7-3-2-4-8-15)12-11-20-18(23)14-22-16-9-5-6-10-17(16)25-19(22)24/h2-10H,11-14H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40914
PNG
(MLS000120198 | N-[2-(dimethylamino)ethyl]-5-[(2-me...)
Show SMILES COc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCN(C)C
Show InChI InChI=1S/C17H22N2O5S/c1-19(2)11-10-18-17(20)15-9-8-13(24-15)12-25(21,22)16-7-5-4-6-14(16)23-3/h4-9H,10-12H2,1-3H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40915
PNG
(2-(2-isopropylphenoxy)-N-[4-[(5-methylisoxazol-3-y...)
Show SMILES CC(C)c1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
Show InChI InChI=1S/C21H23N3O5S/c1-14(2)18-6-4-5-7-19(18)28-13-21(25)22-16-8-10-17(11-9-16)30(26,27)24-20-12-15(3)29-23-20/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40920
PNG
(2-[(2-phenylethylamino)methylidene]cyclohexane-1,3...)
Show SMILES O=C1CCCC(=O)C1=CNCCc1ccccc1
Show InChI InChI=1S/C15H17NO2/c17-14-7-4-8-15(18)13(14)11-16-10-9-12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM37597
PNG
(4-chloranyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazo...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40794
PNG
(3-sec-Butyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,...)
Show SMILES CCC(C)N1CC23OC(C=C2)C(C3C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H23NO4/c1-3-13(2)21-12-20-10-9-15(25-20)16(17(20)18(21)22)19(23)24-11-14-7-5-4-6-8-14/h4-10,13,15-17H,3,11-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40801
PNG
(MLS000071057 | Morpholin-4-yl-tricyclo[4.3.1.1*3,8...)
Show SMILES O=C(N1CCOCC1)C12CC3CC(CC(C3)CC1)C2
Show InChI InChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-2-1-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40803
PNG
((1H-Benzoimidazol-2-ylmethoxy)-acetic acid | 2-(1H...)
Show SMILES OC(=O)COCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H10N2O3/c13-10(14)6-15-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40812
PNG
(MLS000079835 | SMR000041618 | [3-(3-methoxyanilino...)
Show SMILES COc1cccc(NC(=O)CCP(C)(O)=O)c1
Show InChI InChI=1S/C11H16NO4P/c1-16-10-5-3-4-9(8-10)12-11(13)6-7-17(2,14)15/h3-5,8H,6-7H2,1-2H3,(H,12,13)(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40813
PNG
(2-[[3-cyano-4-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro...)
Show SMILES COc1ccc(NC(=O)CSC2=NC3=C(C(C2C#N)c2ccco2)C(=O)CCC3)c(OC)c1
Show InChI InChI=1S/C24H23N3O5S/c1-30-14-8-9-16(20(11-14)31-2)26-21(29)13-33-24-15(12-25)22(19-7-4-10-32-19)23-17(27-24)5-3-6-18(23)28/h4,7-11,15,22H,3,5-6,13H2,1-2H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40818
PNG
(3-acetyl-1-ethyl-2-quinoxalinone | 3-acetyl-1-ethy...)
Show SMILES CCn1c2ccccc2nc(C(C)=O)c1=O
Show InChI InChI=1S/C12H12N2O2/c1-3-14-10-7-5-4-6-9(10)13-11(8(2)15)12(14)16/h4-7H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40834
PNG
(3-(1-azepanylsulfonyl)-N-[5-methyl-2-(2-pyridinyl)...)
Show SMILES Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)n(n1)-c1ccccn1
Show InChI InChI=1S/C22H25N5O3S/c1-17-15-21(27(25-17)20-11-4-5-12-23-20)24-22(28)18-9-8-10-19(16-18)31(29,30)26-13-6-2-3-7-14-26/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40835
PNG
(3-(1-piperidinylsulfonyl)-N-(thiophen-2-ylmethyl)b...)
Show SMILES O=C(NCc1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O3S2/c20-17(18-13-15-7-5-11-23-15)14-6-4-8-16(12-14)24(21,22)19-9-2-1-3-10-19/h4-8,11-12H,1-3,9-10,13H2,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40841
PNG
(MLS000092537 | N-[[3-(4-methylphenyl)-1,2,4-oxadia...)
Show SMILES CC(C)N(Cc1nc(no1)-c1ccc(C)cc1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H31N3O2/c1-15(2)27(14-21-25-22(26-29-21)20-6-4-16(3)5-7-20)23(28)24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,15,17-19H,8-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40842
PNG
(6,7-diethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-...)
Show SMILES CCOc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OCC
Show InChI InChI=1S/C17H22N2O4S/c1-3-21-14-8-12-13(9-15(14)22-4-2)18-17(24)19(16(12)20)10-11-6-5-7-23-11/h8-9,11H,3-7,10H2,1-2H3,(H,18,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40844
PNG
(2-[(4-methoxy-6-morpholino-s-triazin-2-yl)oxy]acet...)
Show SMILES CCOC(=O)COc1nc(OC)nc(n1)N1CCOCC1
Show InChI InChI=1S/C12H18N4O5/c1-3-20-9(17)8-21-12-14-10(13-11(15-12)18-2)16-4-6-19-7-5-16/h3-8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40848
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(me...)
Show SMILES CCOC(=O)c1nnn(c1CN(C)C1CCCCC1)-c1nonc1N
Show InChI InChI=1S/C15H23N7O3/c1-3-24-15(23)12-11(9-21(2)10-7-5-4-6-8-10)22(20-17-12)14-13(16)18-25-19-14/h10H,3-9H2,1-2H3,(H2,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32269
PNG
(3-(3-pyridinyl)-6-thiophen-2-yl-7H-[1,2,4]triazolo...)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1cccs1
Show InChI InChI=1S/C13H9N5S2/c1-3-9(7-14-5-1)12-15-16-13-18(12)17-10(8-20-13)11-4-2-6-19-11/h1-7H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40867
PNG
(2-furancarboxylic acid [4-chloro-2-(2,5-dioxo-1-py...)
Show SMILES Oc1ccc(O)n1-c1cc(Cl)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C15H10ClNO5/c16-9-3-4-11(22-15(20)12-2-1-7-21-12)10(8-9)17-13(18)5-6-14(17)19/h1-8,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40875
PNG
(MLS000050140 | N-(2,4-dimethoxyphenyl)-1-(4-methyl...)
Show SMILES COc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C20H22N2O6S/c1-13-4-7-15(8-5-13)29(25,26)22-17(10-11-19(22)23)20(24)21-16-9-6-14(27-2)12-18(16)28-3/h4-9,12,17H,10-11H2,1-3H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM34457
PNG
(3-(phenoxymethyl)-6-(phenylmethyl)-[1,2,4]triazolo...)
Show SMILES C(Oc1ccccc1)c1nnc2sc(Cc3ccccc3)nn12
Show InChI InChI=1S/C17H14N4OS/c1-3-7-13(8-4-1)11-16-20-21-15(18-19-17(21)23-16)12-22-14-9-5-2-6-10-14/h1-10H,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40889
PNG
(1-(4-methylbenzyl)-4-[4-(2-methylphenyl)-1-piperaz...)
Show SMILES Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C24H26N6/c1-18-7-9-20(10-8-18)16-30-24-21(15-27-30)23(25-17-26-24)29-13-11-28(12-14-29)22-6-4-3-5-19(22)2/h3-10,15,17H,11-14,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40898
PNG
(4-chloranyl-3-(propan-2-ylsulfamoyl)benzoic acid |...)
Show SMILES CC(C)NS(=O)(=O)c1cc(ccc1Cl)C(O)=O
Show InChI InChI=1S/C10H12ClNO4S/c1-6(2)12-17(15,16)9-5-7(10(13)14)3-4-8(9)11/h3-6,12H,1-2H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40902
PNG
(MLS000088961 | N-(1,3-benzothiazol-2-yl)-2-methoxy...)
Show SMILES COc1ccc(cc1C(=O)Nc1nc2ccccc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O5S2/c1-26-16-7-6-13(29(24,25)22-8-10-27-11-9-22)12-14(16)18(23)21-19-20-15-4-2-3-5-17(15)28-19/h2-7,12H,8-11H2,1H3,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40918
PNG
(3-butyl-6-(4-morpholinyl)-1H-pyrimidine-2,4-dione ...)
Show SMILES CCCCn1c(=O)cc([nH]c1=O)N1CCOCC1
Show InChI InChI=1S/C12H19N3O3/c1-2-3-4-15-11(16)9-10(13-12(15)17)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40932
PNG
(MLS000110123 | N-[(2-methoxyphenyl)methyl]-2,3-dih...)
Show SMILES COc1ccccc1CNC(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C17H17NO4/c1-20-13-7-3-2-6-12(13)10-18-17(19)16-11-21-14-8-4-5-9-15(14)22-16/h2-9,16H,10-11H2,1H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40934
PNG
((2-methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine...)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1cccs1
Show InChI InChI=1S/C14H12N2OS2/c1-17-12-6-3-2-5-10(12)15-14-16-11(9-19-14)13-7-4-8-18-13/h2-9H,1H3,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40935
PNG
(3,4-dimethoxybenzenecarbothioic acid S-(4,5-dihydr...)
Show SMILES COc1ccc(cc1OC)C(=O)SC1=NCCS1
Show InChI InChI=1S/C12H13NO3S2/c1-15-9-4-3-8(7-10(9)16-2)11(14)18-12-13-5-6-17-12/h3-4,7H,5-6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40792
PNG
(2-[1,3-benzodioxol-5-ylmethyl-[2-(1-benzotriazolyl...)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc2OCOc2c1)C(=O)Cn1nnc2ccccc12)c1ccco1
Show InChI InChI=1S/C26H27N5O5/c1-26(2,3)27-25(33)24(21-9-6-12-34-21)30(14-17-10-11-20-22(13-17)36-16-35-20)23(32)15-31-19-8-5-4-7-18(19)28-29-31/h4-13,24H,14-16H2,1-3H3,(H,27,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40807
PNG
(MLS000027885 | N-[4-[3-(benzotriazol-1-yl)propanoy...)
Show SMILES COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc12
Show InChI InChI=1S/C22H21N5O4S/c1-30-18-13-16(24-22(29)20-8-5-11-32-20)19(31-2)12-15(18)23-21(28)9-10-27-17-7-4-3-6-14(17)25-26-27/h3-8,11-13H,9-10H2,1-2H3,(H,23,28)(H,24,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM32766
PNG
(MLS000027597 | SMR000039734 | [4-[(2-methoxyphenyl...)
Show SMILES COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c1-13(22)24-19-16(12-20-15-10-6-7-11-17(15)23-2)21-18(25-19)14-8-4-3-5-9-14/h3-12H,1-2H3/b20-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40811
PNG
((8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)...)
Show SMILES CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccccc1OCC
Show InChI InChI=1S/C23H23N5O3/c1-3-30-19-8-6-5-7-16(19)20-18-12-28(22(29)31-4-2)10-9-15(18)17(11-24)21(27)23(20,13-25)14-26/h5-8,18,20,27H,3-4,9-10,12H2,1-2H3/t18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40820
PNG
(3-(4,6-dimethyl-2-pyrimidinyl)-5-(4-ethylphenyl)-2...)
Show SMILES CCc1ccc(cc1)-c1cn(-c2nc(C)cc(C)n2)c(=N)o1
Show InChI InChI=1S/C17H18N4O/c1-4-13-5-7-14(8-6-13)15-10-21(16(18)22-15)17-19-11(2)9-12(3)20-17/h5-10,18H,4H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40825
PNG
(3-piperidinosulfonyl-N-(2-thiazolin-2-yl)benzamide...)
Show SMILES O=C(NC1=NCCS1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N3O3S2/c19-14(17-15-16-7-10-22-15)12-5-4-6-13(11-12)23(20,21)18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40826
PNG
(2-(2-furoyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyr...)
Show SMILES Cc1c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C26H24N4O4/c1-17-23(26(33)30(28(17)2)20-11-4-3-5-12-20)27-24(31)21-15-18-9-6-7-10-19(18)16-29(21)25(32)22-13-8-14-34-22/h3-14,21H,15-16H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40833
PNG
(3-(dimethylsulfamoyl)-N-(4-methyl-1,3-thiazol-2-yl...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N(c1nc(C)cs1)c1ccccc1
Show InChI InChI=1S/C19H19N3O3S2/c1-14-13-26-19(20-14)22(16-9-5-4-6-10-16)18(23)15-8-7-11-17(12-15)27(24,25)21(2)3/h4-13H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40859
PNG
(MLS000087928 | N-(4-methoxy-6-methyl-2-pyrimidinyl...)
Show SMILES CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H19N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40869
PNG
(3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C22H22N4O2/c1-4-10-19-23-18-14-9-8-13-17(18)21(27)25(19)20-15(2)24(3)26(22(20)28)16-11-6-5-7-12-16/h5-9,11-14H,4,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40870
PNG
(6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cycloh...)
Show SMILES CC(=O)c1cc2OCOc2cc1NC(=O)C1CC=CCC1C(O)=O
Show InChI InChI=1S/C17H17NO6/c1-9(19)12-6-14-15(24-8-23-14)7-13(12)18-16(20)10-4-2-3-5-11(10)17(21)22/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,20)(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40379
PNG
(3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide...)
Show SMILES O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H17N3O3S2/c19-14(17-15-16-7-10-22-15)12-5-4-6-13(11-12)23(20,21)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2,(H,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40880
PNG
(1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinecarboxyl...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1
Show InChI InChI=1S/C16H21NO3S/c1-2-20-16(19)13-8-10-17(11-9-13)15(18)12-21-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40897
PNG
(MLS000100375 | N-(4-methoxy-6-methyl-2-pyrimidinyl...)
Show SMILES COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1
Show InChI InChI=1S/C12H13N3O3S/c1-9-8-11(18-2)14-12(13-9)15-19(16,17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40907
PNG
(MLS000120119 | N-cyclopentyl-2-methyl-1-[2-(4-meth...)
Show SMILES Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C20H28N2O2/c1-15-7-9-16(10-8-15)12-14-22-18(23)11-13-20(22,2)19(24)21-17-5-3-4-6-17/h7-10,17H,3-6,11-14H2,1-2H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40911
PNG
(6-(2,3-dihydroindol-1-ylsulfonyl)-3-(2-oxidanylide...)
Show SMILES O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCc2ccccc12)N1CCCCC1
Show InChI InChI=1S/C22H23N3O5S/c26-21(23-11-4-1-5-12-23)15-24-19-9-8-17(14-20(19)30-22(24)27)31(28,29)25-13-10-16-6-2-3-7-18(16)25/h2-3,6-9,14H,1,4-5,10-13,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40917
PNG
(MLS000101580 | N-[2-(2-keto-7-methoxy-1H-quinolin-...)
Show SMILES COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H20N2O3/c1-10(2)15(19)17-7-6-12-8-11-4-5-13(21-3)9-14(11)18-16(12)20/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40922
PNG
(3-(4-morpholinylsulfonyl)-N-(2-thiazolyl)benzamide...)
Show SMILES O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C14H15N3O4S2/c18-13(16-14-15-4-9-22-14)11-2-1-3-12(10-11)23(19,20)17-5-7-21-8-6-17/h1-4,9-10H,5-8H2,(H,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40928
PNG
(2-[4-[2-keto-2-(2-pyridylamino)ethyl]piperazino]-N...)
Show SMILES O=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1
Show InChI InChI=1S/C18H22N6O2/c25-17(21-15-5-1-3-7-19-15)13-23-9-11-24(12-10-23)14-18(26)22-16-6-2-4-8-20-16/h1-8H,9-14H2,(H,19,21,25)(H,20,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%