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2 similar compounds to monomer 48428

Compile data set for download or QSAR
Wt: 378.4
BDBM32956
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Wt: 327.7
BDBM40113
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 32956,40113   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM32956
PNG
(MLS000771400 | N-(2-furanylmethyl)-5-methyl-3-phen...)
Show SMILES Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3S/c1-15-19(20(22-26-15)16-7-3-2-4-8-16)21(24)23(13-17-9-5-11-25-17)14-18-10-6-12-27-18/h2-12H,13-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM32956
PNG
(MLS000771400 | N-(2-furanylmethyl)-5-methyl-3-phen...)
Show SMILES Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3S/c1-15-19(20(22-26-15)16-7-3-2-4-8-16)21(24)23(13-17-9-5-11-25-17)14-18-10-6-12-27-18/h2-12H,13-14H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z60MG3
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM32956
PNG
(MLS000771400 | N-(2-furanylmethyl)-5-methyl-3-phen...)
Show SMILES Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3S/c1-15-19(20(22-26-15)16-7-3-2-4-8-16)21(24)23(13-17-9-5-11-25-17)14-18-10-6-12-27-18/h2-12H,13-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40113
PNG
(3-(2-chlorophenyl)-5-methyl-N-(3-pyridinylmethyl)-...)
Show SMILES Cc1onc(c1C(=O)NCc1cccnc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClN3O2/c1-11-15(17(22)20-10-12-5-4-8-19-9-12)16(21-23-11)13-6-2-3-7-14(13)18/h2-9H,10H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair