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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50007465   
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
Serine protease 1


(Bos taurus (bovine))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
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 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The compound was evaluated to inhibit trypsinand is expressed in IC50 (The concentration required to inhibit 50% of the enzyme).


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
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 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% trypsin derived from bovine pancreas


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063736
PNG
(2-(2-Chloro-phenylamino)-benzo[d][1,3]oxazin-4-one...)
Show SMILES Clc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H9ClN2O2/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 6.50E+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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063706
PNG
(6,7-Difluoro-2-(2-iodo-phenylamino)-benzo[d][1,3]o...)
Show SMILES Fc1cc2nc(Nc3ccccc3I)oc(=O)c2cc1F
Show InChI InChI=1S/C14H7F2IN2O2/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 7.00E+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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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 7.80E+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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063736
PNG
(2-(2-Chloro-phenylamino)-benzo[d][1,3]oxazin-4-one...)
Show SMILES Clc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H9ClN2O2/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 8.00E+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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
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 1.20E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
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 1.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The compound was evaluated to inhibit 50% of Clr Serine Protease after 60 mins and is expressed in IC50 (microM).


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063705
PNG
(5-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...)
Show SMILES Clc1cccc2nc(Nc3ccccc3I)oc(=O)c12
Show InChI InChI=1S/C14H8ClIN2O2/c15-8-4-3-7-11-12(8)13(19)20-14(18-11)17-10-6-2-1-5-9(10)16/h1-7H,(H,17,18)
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n/an/a 1.45E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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 1.47E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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 1.52E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
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 1.53E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% trypsin derived from bovine pancreas


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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 1.66E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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 1.66E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
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 1.67E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063707
PNG
(2-o-Tolylamino-benzo[d][1,3]oxazin-4-one | CHEMBL1...)
Show SMILES Cc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H12N2O2/c1-10-6-2-4-8-12(10)16-15-17-13-9-5-3-7-11(13)14(18)19-15/h2-9H,1H3,(H,16,17)
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n/an/a 3.10E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063707
PNG
(2-o-Tolylamino-benzo[d][1,3]oxazin-4-one | CHEMBL1...)
Show SMILES Cc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H12N2O2/c1-10-6-2-4-8-12(10)16-15-17-13-9-5-3-7-11(13)14(18)19-15/h2-9H,1H3,(H,16,17)
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n/an/a 3.80E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063733
PNG
(2-(2-Iodo-phenylamino)-6,7-dimethoxy-benzo[d][1,3]...)
Show SMILES COc1cc2nc(Nc3ccccc3I)oc(=O)c2cc1OC
Show InChI InChI=1S/C16H13IN2O4/c1-21-13-7-9-12(8-14(13)22-2)19-16(23-15(9)20)18-11-6-4-3-5-10(11)17/h3-8H,1-2H3,(H,18,19)
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n/an/a 4.70E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063733
PNG
(2-(2-Iodo-phenylamino)-6,7-dimethoxy-benzo[d][1,3]...)
Show SMILES COc1cc2nc(Nc3ccccc3I)oc(=O)c2cc1OC
Show InChI InChI=1S/C16H13IN2O4/c1-21-13-7-9-12(8-14(13)22-2)19-16(23-15(9)20)18-11-6-4-3-5-10(11)17/h3-8H,1-2H3,(H,18,19)
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n/an/a 4.70E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063712
PNG
(2-(2-Fluoro-phenylamino)-benzo[d][1,3]oxazin-4-one...)
Show SMILES Fc1ccccc1Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H9FN2O2/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 5.00E+4n/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)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
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