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Compile Data Set for Download or QSAR

Found 208 hits Enz. Inhib. hit(s) with Target = 'Complement C1r subcomponent'   
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 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)
PDB
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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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


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


J Med Chem 41: 1060-7 (1998)

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.


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


Bioorg Med Chem Lett 6: 679-682 (1996)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


Bioorg Med Chem Lett 6: 679-682 (1996)

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 .


Bioorg Med Chem Lett 6: 679-682 (1996)

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 .


Bioorg Med Chem Lett 6: 679-682 (1996)

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


Bioorg Med Chem Lett 6: 679-682 (1996)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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.


Citation and Details
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


Bioorg Med Chem Lett 6: 679-682 (1996)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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


J Med Chem 41: 1060-7 (1998)

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.


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


Bioorg Med Chem Lett 6: 679-682 (1996)

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


Bioorg Med Chem Lett 6: 679-682 (1996)

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


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


Bioorg Med Chem Lett 6: 679-682 (1996)

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.


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.


Citation and Details
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


J Med Chem 41: 1060-7 (1998)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063714
PNG
(6-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Clc1ccc2nc(Nc3ccccc3I)oc(=O)c2c1
Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-11-9(7-8)13(19)20-14(17-11)18-12-4-2-1-3-10(12)16/h1-7H,(H,17,18)
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n/an/a 4.00E+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


J Med Chem 41: 1060-7 (1998)

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 4.00E+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


J Med Chem 41: 1060-7 (1998)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075993
PNG
(CHEMBL166632 | N-Methyl-N-(4-oxo-4H-benzo[d][1,3]o...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12N2O4S/c1-17(22(19,20)11-7-3-2-4-8-11)15-16-13-10-6-5-9-12(13)14(18)21-15/h2-10H,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human C1r protease.


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 4.00E+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


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


(Homo sapiens (Human))
BDBM50063738
PNG
(2-(2-Trifluoromethoxy-phenylamino)-benzo[d][1,3]ox...)
Show SMILES FC(F)(F)Oc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-8-4-3-7-11(12)20-14-19-10-6-2-1-5-9(10)13(21)22-14/h1-8H,(H,19,20)
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n/an/a 4.00E+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


J Med Chem 41: 1060-7 (1998)

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 4.20E+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


J Med Chem 41: 1060-7 (1998)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50288996
PNG
(2-(2-Trifluoromethyl-phenyl)-benzo[d][1,3]oxazin-4...)
Show SMILES FC(F)(F)c1ccccc1-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H8F3NO2/c16-15(17,18)11-7-3-1-5-9(11)13-19-12-8-4-2-6-10(12)14(20)21-13/h1-8H
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289011
PNG
(2-(2-Iodo-phenyl)-6-methoxy-benzo[d][1,3]oxazin-4-...)
Show SMILES COc1ccc2nc(oc(=O)c2c1)-c1ccccc1I
Show InChI InChI=1S/C15H10INO3/c1-19-9-6-7-13-11(8-9)15(18)20-14(17-13)10-4-2-3-5-12(10)16/h2-8H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063718
PNG
(2-(2-Bromo-phenylamino)-benzo[d][1,3]oxazin-4-one ...)
Show SMILES Brc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H9BrN2O2/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 5.10E+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


J Med Chem 41: 1060-7 (1998)

More data for this
Ligand-Target Pair
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