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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50008675   
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


(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 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075980
PNG
(4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
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n/an/a 930n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075979
PNG
(4-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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 [#6]-[#7](-c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(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 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075981
PNG
(4-Amino-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,16H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
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 [#6]-[#7](-c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]
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
In vitro inhibition of purified human C1r protease.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
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.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075991
PNG
(3-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075989
PNG
(CHEMBL167163 | Naphthalene-1-sulfonic acid methyl-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O4S/c1-21(19-20-16-11-5-4-10-15(16)18(22)25-19)26(23,24)17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075987
PNG
(4,N-Dimethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O4S/c1-11-7-9-12(10-8-11)23(20,21)18(2)16-17-14-6-4-3-5-13(14)15(19)22-16/h3-10H,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075990
PNG
(4-tert-Butyl-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-9-11-14(12-10-13)26(23,24)21(4)18-20-16-8-6-5-7-15(16)17(22)25-18/h5-12H,1-4H3
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n/an/a 5.83E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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 6.00E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
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 6.00E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075989
PNG
(CHEMBL167163 | Naphthalene-1-sulfonic acid methyl-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O4S/c1-21(19-20-16-11-5-4-10-15(16)18(22)25-19)26(23,24)17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3
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n/an/a 6.00E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075981
PNG
(4-Amino-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,16H2,1H3
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n/an/a 7.00E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075981
PNG
(4-Amino-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H13N3O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,16H2,1H3
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n/an/a 7.00E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075984
PNG
(2,6-Dichloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)13-10(16)6-4-7-11(13)17)15-18-12-8-3-2-5-9(12)14(20)23-15/h2-8H,1H3
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n/an/a 7.50E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075987
PNG
(4,N-Dimethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14N2O4S/c1-11-7-9-12(10-8-11)23(20,21)18(2)16-17-14-6-4-3-5-13(14)15(19)22-16/h3-10H,1-2H3
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n/an/a 7.80E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075985
PNG
(3,4-Dichloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)9-6-7-11(16)12(17)8-9)15-18-13-5-3-2-4-10(13)14(20)23-15/h2-8H,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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 8.30E+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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075989
PNG
(CHEMBL167163 | Naphthalene-1-sulfonic acid methyl-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O4S/c1-21(19-20-16-11-5-4-10-15(16)18(22)25-19)26(23,24)17-12-6-8-13-7-2-3-9-14(13)17/h2-12H,1H3
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075984
PNG
(2,6-Dichloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)13-10(16)6-4-7-11(13)17)15-18-12-8-3-2-5-9(12)14(20)23-15/h2-8H,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
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
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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
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
In vitro inhibition of purified human C1r protease.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075977
PNG
(4-Cyano-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O4S/c1-19(24(21,22)12-8-6-11(10-17)7-9-12)16-18-14-5-3-2-4-13(14)15(20)23-16/h2-9H,1H3
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n/an/a 2.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075991
PNG
(3-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3
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n/an/a 2.40E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
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 2.50E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075980
PNG
(4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
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n/an/a 3.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075976
PNG
(CHEMBL165875 | N-Methyl-4-nitro-N-(4-oxo-4H-benzo[...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O6S/c1-17(15-16-13-5-3-2-4-12(13)14(19)24-15)25(22,23)11-8-6-10(7-9-11)18(20)21/h2-9H,1H3
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n/an/a 3.10E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075991
PNG
(3-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3
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n/an/a 5.80E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075990
PNG
(4-tert-Butyl-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-9-11-14(12-10-13)26(23,24)21(4)18-20-16-8-6-5-7-15(16)17(22)25-18/h5-12H,1-4H3
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n/an/a>6.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075990
PNG
(4-tert-Butyl-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-9-11-14(12-10-13)26(23,24)21(4)18-20-16-8-6-5-7-15(16)17(22)25-18/h5-12H,1-4H3
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n/an/a>6.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075984
PNG
(2,6-Dichloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)13-10(16)6-4-7-11(13)17)15-18-12-8-3-2-5-9(12)14(20)23-15/h2-8H,1H3
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n/an/a>6.20E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075979
PNG
(4-Chloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-8-6-10(16)7-9-11)15-17-13-5-3-2-4-12(13)14(19)22-15/h2-9H,1H3
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n/an/a>6.20E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075980
PNG
(4-Chloro-N-ethyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
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n/an/a 6.20E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075985
PNG
(3,4-Dichloro-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxa...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)9-6-7-11(16)12(17)8-9)15-18-13-5-3-2-4-10(13)14(20)23-15/h2-8H,1H3
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n/an/a>6.25E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075988
PNG
(4-Methoxy-N-methyl-N-(4-oxo-4H-benzo[d][1,3]thiazi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1nc2ccccc2c(=O)s1
Show InChI InChI=1S/C16H14N2O4S2/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>6.25E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50075983
PNG
(CHEMBL167467 | N-Methyl-N-(4-oxo-4H-benzo[d][1,3]t...)
Show SMILES CN(c1nc2ccccc2c(=O)s1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12N2O3S2/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>6.25E+4n/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)


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(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>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(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>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075977
PNG
(4-Cyano-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O4S/c1-19(24(21,22)12-8-6-11(10-17)7-9-12)16-18-14-5-3-2-4-13(14)15(20)23-16/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(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>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075976
PNG
(CHEMBL165875 | N-Methyl-4-nitro-N-(4-oxo-4H-benzo[...)
Show SMILES CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O6S/c1-17(15-16-13-5-3-2-4-12(13)14(19)24-15)25(22,23)11-8-6-10(7-9-11)18(20)21/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50075988
PNG
(4-Methoxy-N-methyl-N-(4-oxo-4H-benzo[d][1,3]thiazi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1nc2ccccc2c(=O)s1
Show InChI InChI=1S/C16H14N2O4S2/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>2.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro for inhibition of purified bovine trypsin.


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


BindingDB Entry DOI: 10.7270/Q29G5M0K
More data for this
Ligand-Target Pair