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Compile Data Set for Download or QSAR

Found 569 hits Enz. Inhib. hit(s) with Target = 'Complement C1'   
Target
(Institution)
LigandTarget
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))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1s serine protease .


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063701
PNG
(2-(2-Iodo-phenylamino)-naphtho[2,3-d][1,3]oxazin-4...)
Show SMILES Ic1ccccc1Nc1nc2cc3ccccc3cc2c(=O)o1
Show InChI InChI=1S/C18H11IN2O2/c19-14-7-3-4-8-15(14)20-18-21-16-10-12-6-2-1-5-11(12)9-13(16)17(22)23-18/h1-10H,(H,20,21)
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n/an/a 200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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n/an/a 300n/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Complement C1s subcomponent in erythrocyte hemolytic assay


Citation and Details
More data for this
Ligand-Target Pair
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)
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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)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063745
PNG
(2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)
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n/an/a 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063745
PNG
(2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)
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n/an/a 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibitory activity against purified human C1r protease protease


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063726
PNG
(7-Chloro-2-(2,6-dichloro-phenylamino)-benzo[d][1,3...)
Show SMILES Clc1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O
Show InChI InChI=1S/C14H7Cl3N2O2/c15-7-4-5-8-11(6-7)18-14(21-13(8)20)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)
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n/an/a 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063722
PNG
(6,7-Dichloro-2-(2-iodo-phenylamino)-benzo[d][1,3]o...)
Show SMILES Clc1cc2nc(Nc3ccccc3I)oc(=O)c2cc1Cl
Show InChI InChI=1S/C14H7Cl2IN2O2/c15-8-5-7-12(6-9(8)16)19-14(21-13(7)20)18-11-4-2-1-3-10(11)17/h1-6H,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075982
PNG
(4-Methoxy-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H14N2O5S/c1-18(24(20,21)12-9-7-11(22-2)8-10-12)16-17-14-6-4-3-5-13(14)15(19)23-16/h3-10H,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063711
PNG
(7-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289007
PNG
(2-(2-Iodo-phenyl)-naphtho[2,3-d][1,3]oxazin-4-one ...)
Show SMILES Ic1ccccc1-c1nc2cc3ccccc3cc2c(=O)o1
Show InChI InChI=1S/C18H10INO2/c19-15-8-4-3-7-13(15)17-20-16-10-12-6-2-1-5-11(12)9-14(16)18(21)22-17/h1-10H
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063721
PNG
(2-(2-Iodo-phenylamino)-7-nitro-benzo[d][1,3]oxazin...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C14H8IN3O4/c15-10-3-1-2-4-11(10)16-14-17-12-7-8(18(20)21)5-6-9(12)13(19)22-14/h1-7H,(H,16,17)
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063723
PNG
(2-(2-Iodo-phenylamino)-7-methyl-benzo[d][1,3]oxazi...)
Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C15H11IN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063717
PNG
(7-Chloro-2-(2-chloro-phenylamino)-benzo[d][1,3]oxa...)
Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O
Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063717
PNG
(7-Chloro-2-(2-chloro-phenylamino)-benzo[d][1,3]oxa...)
Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O
Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
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
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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)

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
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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)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063724
PNG
(2-(2,6-Dichloro-phenylamino)-benzo[d][1,3]oxazin-4...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8Cl2N2O2/c15-9-5-3-6-10(16)12(9)18-14-17-11-7-2-1-4-8(11)13(19)20-14/h1-7H,(H,17,18)
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n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063711
PNG
(7-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)
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n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063732
PNG
(2-(2-Chloro-phenylamino)-7-methyl-benzo[d][1,3]oxa...)
Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O
Show InChI InChI=1S/C15H11ClN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
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n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063726
PNG
(7-Chloro-2-(2,6-dichloro-phenylamino)-benzo[d][1,3...)
Show SMILES Clc1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O
Show InChI InChI=1S/C14H7Cl3N2O2/c15-7-4-5-8-11(6-7)18-14(21-13(8)20)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)
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n/an/a 900n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063724
PNG
(2-(2,6-Dichloro-phenylamino)-benzo[d][1,3]oxazin-4...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8Cl2N2O2/c15-9-5-3-6-10(16)12(9)18-14-17-11-7-2-1-4-8(11)13(19)20-14/h1-7H,(H,17,18)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
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
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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)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 1.04E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease .


Citation and Details
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1s serine protease .


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.37E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease .


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063720
PNG
(2-(2-Chloro-phenylamino)-7-nitro-benzo[d][1,3]oxaz...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O
Show InChI InChI=1S/C14H8ClN3O4/c15-10-3-1-2-4-11(10)16-14-17-12-7-8(18(20)21)5-6-9(12)13(19)22-14/h1-7H,(H,16,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063703
PNG
(2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against C1r serine protease in assay 1


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063704
PNG
(2-[(2-Iodo-phenyl)-methyl-amino]-benzo[d][1,3]oxaz...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)c1ccccc1I
Show InChI InChI=1S/C15H11IN2O2/c1-18(13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)20-15/h2-9H,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063732
PNG
(2-(2-Chloro-phenylamino)-7-methyl-benzo[d][1,3]oxa...)
Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O
Show InChI InChI=1S/C15H11ClN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063740
PNG
(2-(2,6-Dichloro-phenylamino)-7-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O
Show InChI InChI=1S/C15H7Cl2F3N2O2/c16-9-2-1-3-10(17)12(9)22-14-21-11-6-7(15(18,19)20)4-5-8(11)13(23)24-14/h1-6H,(H,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063723
PNG
(2-(2-Iodo-phenylamino)-7-methyl-benzo[d][1,3]oxazi...)
Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C15H11IN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075992
PNG
(4-Guanidino-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxaz...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C16H15N5O4S/c1-21(16-20-13-5-3-2-4-12(13)14(22)25-16)26(23,24)11-8-6-10(7-9-11)19-15(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50288998
PNG
(6,7-Dichloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin...)
Show SMILES Clc1cc2nc(oc(=O)c2cc1Cl)-c1ccccc1I
Show InChI InChI=1S/C14H6Cl2INO2/c15-9-5-8-12(6-10(9)16)18-13(20-14(8)19)7-3-1-2-4-11(7)17/h1-6H
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063708
PNG
(7-Fluoro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Fc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C14H8FIN2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063730
PNG
(6,7-Dichloro-2-(2-chloro-phenylamino)-benzo[d][1,3...)
Show SMILES Clc1cc2nc(Nc3ccccc3Cl)oc(=O)c2cc1Cl
Show InChI InChI=1S/C14H7Cl3N2O2/c15-8-3-1-2-4-11(8)18-14-19-12-6-10(17)9(16)5-7(12)13(20)21-14/h1-6H,(H,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063697
PNG
(2-(2,5-Dichloro-phenylamino)-benzo[d][1,3]oxazin-4...)
Show SMILES Clc1ccc(Cl)c(Nc2nc3ccccc3c(=O)o2)c1
Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-10(16)12(7-8)18-14-17-11-4-2-1-3-9(11)13(19)20-14/h1-7H,(H,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063697
PNG
(2-(2,5-Dichloro-phenylamino)-benzo[d][1,3]oxazin-4...)
Show SMILES Clc1ccc(Cl)c(Nc2nc3ccccc3c(=O)o2)c1
Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-10(16)12(7-8)18-14-17-11-4-2-1-3-9(11)13(19)20-14/h1-7H,(H,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
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
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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)

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
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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)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063708
PNG
(7-Fluoro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Fc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O
Show InChI InChI=1S/C14H8FIN2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075978
PNG
(2-Bromo-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C15H11BrN2O4S/c1-18(23(20,21)13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)22-15/h2-9H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289004
PNG
(6-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075992
PNG
(4-Guanidino-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxaz...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C16H15N5O4S/c1-21(16-20-13-5-3-2-4-12(13)14(22)25-16)26(23,24)11-8-6-10(7-9-11)19-15(17)18/h2-9H,1H3,(H4,17,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against purified human C1r protease incubated in buffer for 60 minutes


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289016
PNG
(5-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289016
PNG
(5-Chloro-2-(2-iodo-phenyl)-benzo[d][1,3]oxazin-4-o...)
Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1I
Show InChI InChI=1S/C14H7ClINO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Citation and Details
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075986
PNG
(CHEMBL168038 | N-Ethyl-N-(4-oxo-4H-benzo[d][1,3]ox...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-2-18(23(20,21)12-8-4-3-5-9-12)16-17-14-11-7-6-10-13(14)15(19)22-16/h3-11H,2H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075986
PNG
(CHEMBL168038 | N-Ethyl-N-(4-oxo-4H-benzo[d][1,3]ox...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-2-18(23(20,21)12-8-4-3-5-9-12)16-17-14-11-7-6-10-13(14)15(19)22-16/h3-11H,2H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


Bioorg Med Chem Lett 9: 815-20 (1999)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063715
PNG
(2-(2-Iodo-phenylamino)-benzo[d][1,3]oxazin-4-one |...)
Show SMILES Ic1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H9IN2O2/c15-10-6-2-4-8-12(10)17-14-16-11-7-3-1-5-9(11)13(18)19-14/h1-8H,(H,16,17)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


Citation and Details
More data for this
Ligand-Target Pair
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