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Compile Data Set for Download or QSAR

Found 37 hits of Enz. Inhib. data with enzyme = 'Coagulation factor X' and Substrate = 'BDBM12593'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (human))
BDBM14059
PNG
(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
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0.700 -12.4n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12597
PNG
(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1
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0.900 -12.2n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12597
PNG
(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1
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0.900 -12.2n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12596
PNG
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2
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1.10 -12.1n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12594
PNG
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
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1.30 -12.0n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM13304
PNG
(4-hydroxy-3-[((3S)-2-oxo-3-{[(5-pyridin-3-ylthien-...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1
Show InChI InChI=1S/C21H21N5O4S2/c22-20(23)13-3-4-17(27)15(10-13)12-26-9-7-16(21(26)28)25-32(29,30)19-6-5-18(31-19)14-2-1-8-24-11-14/h1-6,8,10-11,16,25,27H,7,9,12H2,(H3,22,23)/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12595
PNG
(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
Show SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12
Show InChI InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2
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3 -11.5n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM13306
PNG
(4-Hydroxy-3-[3-(S)-(5-isoxazol-3-ylthiophene-2-yls...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1
Show InChI InChI=1S/C19H19N5O5S2/c20-18(21)11-1-2-15(25)12(9-11)10-24-7-5-14(19(24)26)23-31(27,28)17-4-3-16(30-17)13-6-8-29-22-13/h1-4,6,8-9,14,23,25H,5,7,10H2,(H3,20,21)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13286
PNG
(4-Hydroxy-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O5S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)26-20-8-9-27(23(20)29)13-17-10-15(22(24)25)4-7-21(17)28/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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3 -11.5n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13283
PNG
(4-amino-3-({(3S)-3-[[(7-methoxy-2-naphthyl)sulfony...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O
Show InChI InChI=1S/C24H27N5O4S/c1-28(34(31,32)20-7-4-15-3-6-19(33-2)12-17(15)13-20)22-9-10-29(24(22)30)14-18-11-16(23(26)27)5-8-21(18)25/h3-8,11-13,22H,9-10,14,25H2,1-2H3,(H3,26,27)/t22-/m0/s1
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4 -11.3n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13281
PNG
(4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O
Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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6 -11.1n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13303
PNG
(4-Amino-3-[2-oxo-3-(S)-(5-pyridin-3-ylthiophene-2-...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1
Show InChI InChI=1S/C21H22N6O3S2/c22-16-4-3-13(20(23)24)10-15(16)12-27-9-7-17(21(27)28)26-32(29,30)19-6-5-18(31-19)14-2-1-8-25-11-14/h1-6,8,10-11,17,26H,7,9,12,22H2,(H3,23,24)/t17-/m0/s1
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6n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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6.90 -11.0n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13305
PNG
(4-Amino-3-[3-(S)-(5-isoxazol-3-ylthiophene-2-ylsul...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1
Show InChI InChI=1S/C19H20N6O4S2/c20-13-2-1-11(18(21)22)9-12(13)10-25-7-5-15(19(25)26)24-31(27,28)17-4-3-16(30-17)14-6-8-29-23-14/h1-4,6,8-9,15,24H,5,7,10,20H2,(H3,21,22)/t15-/m0/s1
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7n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13288
PNG
(Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...)
Show SMILES COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N
Show InChI InChI=1S/C26H28N4O7S/c1-35-20-6-3-16-4-7-21(13-18(16)12-20)38(33,34)29-22-9-10-30(26(22)32)14-19-11-17(25(27)28)5-8-23(19)37-15-24(31)36-2/h3-8,11-13,22,29H,9-10,14-15H2,1-2H3,(H3,27,28)/t22-/m0/s1
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8 -10.9n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM14057
PNG
(N-[(3S)-1-(4,7-diazabicyclo[4.3.0]nona-2,4,8,10-te...)
Show SMILES O=C1[C@H](CCN1Cc1cc2ccncc2[nH]1)NS(=O)(=O)c1cc2ncccc2s1
Show InChI InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1
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18 -10.5n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12592
PNG
(3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
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18 -10.5n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM13282
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C24H26N4O4S/c1-27(33(30,31)21-9-7-17-6-8-20(32-2)13-19(17)14-21)22-10-11-28(24(22)29)15-16-4-3-5-18(12-16)23(25)26/h3-9,12-14,22H,10-11,15H2,1-2H3,(H3,25,26)/t22-/m0/s1
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22 -10.3n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM14058
PNG
(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
Show SMILES Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12
Show InChI InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1
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22 -10.3n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM13298
PNG
(3-[2-Oxo-3-(S)-(5-pyridin-3-ylthiophene-2-ylsulfon...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1
Show InChI InChI=1S/C21H21N5O3S2/c22-20(23)15-4-1-3-14(11-15)13-26-10-8-17(21(26)27)25-31(28,29)19-7-6-18(30-19)16-5-2-9-24-12-16/h1-7,9,11-12,17,25H,8,10,13H2,(H3,22,23)/t17-/m0/s1
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41n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13280
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1
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47 -9.89n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13301
PNG
(3-[3-(S)-(5-Isoxazol-3-ylthiophene-2-ylsulfonylami...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)13-3-1-2-12(10-13)11-24-8-6-15(19(24)25)23-30(26,27)17-5-4-16(29-17)14-7-9-28-22-14/h1-5,7,9-10,15,23H,6,8,11H2,(H3,20,21)/t15-/m0/s1
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49n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13299
PNG
(3-[2-Oxo-3-(S)-(5-pyridin-4-ylthiophene-2-ylsulfon...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccncc3)C2=O)c1
Show InChI InChI=1S/C21H21N5O3S2/c22-20(23)16-3-1-2-14(12-16)13-26-11-8-17(21(26)27)25-31(28,29)19-5-4-18(30-19)15-6-9-24-10-7-15/h1-7,9-10,12,17,25H,8,11,13H2,(H3,22,23)/t17-/m0/s1
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55n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13293
PNG
(3-{[(3S)-2-oxo-3-{[4-(pyridin-4-yl)benzene]sulfona...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccncc3)C2=O)c1
Show InChI InChI=1S/C23H23N5O3S/c24-22(25)19-3-1-2-16(14-19)15-28-13-10-21(23(28)29)27-32(30,31)20-6-4-17(5-7-20)18-8-11-26-12-9-18/h1-9,11-12,14,21,27H,10,13,15H2,(H3,24,25)/t21-/m0/s1
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130n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13302
PNG
(4-fluoro-3-[((3S)-2-oxo-3-{[(5-pyridin-3-ylthien-2...)
Show SMILES NC(=N)c1ccc(F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1
Show InChI InChI=1S/C21H20FN5O3S2/c22-16-4-3-13(20(23)24)10-15(16)12-27-9-7-17(21(27)28)26-32(29,30)19-6-5-18(31-19)14-2-1-8-25-11-14/h1-6,8,10-11,17,26H,7,9,12H2,(H3,23,24)/t17-/m0/s1
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130n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13297
PNG
(3-{[(3S)-2-oxo-3-{[5-(pyridin-2-yl)thiophene-2-]su...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccccn3)C2=O)c1
Show InChI InChI=1S/C21H21N5O3S2/c22-20(23)15-5-3-4-14(12-15)13-26-11-9-17(21(26)27)25-31(28,29)19-8-7-18(30-19)16-6-1-2-10-24-16/h1-8,10,12,17,25H,9,11,13H2,(H3,22,23)/t17-/m0/s1
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140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13300
PNG
(3-{[(3S)-3-{[5-(2-methoxypyrimidin-4-yl)thiophene-...)
Show SMILES COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C21H22N6O4S2/c1-31-21-24-9-7-15(25-21)17-5-6-18(32-17)33(29,30)26-16-8-10-27(20(16)28)12-13-3-2-4-14(11-13)19(22)23/h2-7,9,11,16,26H,8,10,12H2,1H3,(H3,22,23)/t16-/m0/s1
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150n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13291
PNG
(3-{[(3S)-2-oxo-3-{[4-(pyridin-2-yl)benzene]sulfona...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccn3)C2=O)c1
Show InChI InChI=1S/C23H23N5O3S/c24-22(25)18-5-3-4-16(14-18)15-28-13-11-21(23(28)29)27-32(30,31)19-9-7-17(8-10-19)20-6-1-2-12-26-20/h1-10,12,14,21,27H,11,13,15H2,(H3,24,25)/t21-/m0/s1
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150 -9.21n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13290
PNG
(3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
Show InChI InChI=1S/C24H24N4O3S/c25-23(26)20-8-4-5-17(15-20)16-28-14-13-22(24(28)29)27-32(30,31)21-11-9-19(10-12-21)18-6-2-1-3-7-18/h1-12,15,22,27H,13-14,16H2,(H3,25,26)/t22-/m0/s1
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160 -9.17n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13292
PNG
(3-{[(3S)-2-oxo-3-{[4-(pyridin-3-yl)benzene]sulfona...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3cccnc3)C2=O)c1
Show InChI InChI=1S/C23H23N5O3S/c24-22(25)18-4-1-3-16(13-18)15-28-12-10-21(23(28)29)27-32(30,31)20-8-6-17(7-9-20)19-5-2-11-26-14-19/h1-9,11,13-14,21,27H,10,12,15H2,(H3,24,25)/t21-/m0/s1
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210n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13295
PNG
(4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-ox...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3cc[n+]([O-])cc3)C2=O)c1
Show InChI InChI=1S/C23H23N5O4S/c24-22(25)19-3-1-2-16(14-19)15-27-11-10-21(23(27)29)26-33(31,32)20-6-4-17(5-7-20)18-8-12-28(30)13-9-18/h1-9,12-14,21,26H,10-11,15H2,(H3,24,25)/t21-/m0/s1
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330n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13284
PNG
(N-(4-carbamimidoyl-2-{[(3S)-3-[(7-methoxynaphthale...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2NC(C)=O)C(N)=N)C1=O
Show InChI InChI=1S/C26H29N5O5S/c1-16(32)29-23-9-6-18(25(27)28)12-20(23)15-31-11-10-24(26(31)33)30(2)37(34,35)22-8-5-17-4-7-21(36-3)13-19(17)14-22/h4-9,12-14,24H,10-11,15H2,1-3H3,(H3,27,28)(H,29,32)/t24-/m0/s1
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919 -8.15n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13287
PNG
(2-Hydroxy-5-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(O)c(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O5S/c1-32-17-5-3-15-4-6-18(12-16(15)11-17)33(30,31)26-20-8-9-27(23(20)29)13-14-2-7-21(28)19(10-14)22(24)25/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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983 -8.11n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13294
PNG
(4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-ox...)
Show SMILES C[n+]1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C24H26N5O3S/c1-28-12-9-19(10-13-28)18-5-7-21(8-6-18)33(31,32)27-22-11-14-29(24(22)30)16-17-3-2-4-20(15-17)23(25)26/h2-10,12-13,15,22,27H,11,14,16H2,1H3,(H3,25,26)/q+1/t22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13285
PNG
(3-Amino-5-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(N)cc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H25N5O4S/c1-32-19-4-2-15-3-5-20(12-16(15)11-19)33(30,31)27-21-6-7-28(23(21)29)13-14-8-17(22(25)26)10-18(24)9-14/h2-5,8-12,21,27H,6-7,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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1.20E+3 -7.99n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13289
PNG
(2-(4-carbamimidoyl-2-{[(3S)-3-[(7-methoxynaphthale...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2OCC(O)=O)C(N)=N)C1=O
Show InChI InChI=1S/C25H26N4O7S/c1-35-19-5-2-15-3-6-20(12-17(15)11-19)37(33,34)28-21-8-9-29(25(21)32)13-18-10-16(24(26)27)4-7-22(18)36-14-23(30)31/h2-7,10-12,21,28H,8-9,13-14H2,1H3,(H3,26,27)(H,30,31)/t21-/m0/s1
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1.30E+3 -7.94n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13296
PNG
((1-Methyl-1H-imidazol-2-yl)benzene-4-sulfonic Acid...)
Show SMILES Cn1ccnc1-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C22H24N6O3S/c1-27-12-10-25-21(27)16-5-7-18(8-6-16)32(30,31)26-19-9-11-28(22(19)29)14-15-3-2-4-17(13-15)20(23)24/h2-8,10,12-13,19,26H,9,11,14H2,1H3,(H3,23,24)/t19-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair