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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'abelman' and Initial = 'ma'   
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
Prothrombin


(Homo sapiens (Human))
BDBM50076074
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1
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n/an/a 0.505n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076070
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076074
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076074
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076069
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076068
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O
Show InChI InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076069
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076070
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076068
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O
Show InChI InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076071
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)CC(F)(F)F)c2=O)C1O
Show InChI InChI=1S/C23H29F3N6O5S/c24-23(25,26)14-38(36,37)30-19-16(9-8-15-5-2-1-3-6-15)10-12-31(21(19)35)13-18(33)29-17-7-4-11-32(20(17)34)22(27)28/h1-3,5-6,10,12,17,20,30,34H,4,7-9,11,13-14H2,(H3,27,28)(H,29,33)/t17-,20?/m0/s1
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n/an/a 194n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076066
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1
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n/an/a 203n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076069
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076067
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H36N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h11,13,15,17,20,26,30H,2-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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n/an/a 256n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076067
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H36N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h11,13,15,17,20,26,30H,2-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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n/an/a 257n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50076072
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CC(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H30N6O4/c1-15(30)26-20-17(10-9-16-6-3-2-4-7-16)11-13-28(22(20)33)14-19(31)27-18-8-5-12-29(21(18)32)23(24)25/h2-4,6-7,11,13,18,21,32H,5,8-10,12,14H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t18-,21?/m0/s1
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n/an/a 472n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076066
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1
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n/an/a 479n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1
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n/an/a 791n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076071
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)CC(F)(F)F)c2=O)C1O
Show InChI InChI=1S/C23H29F3N6O5S/c24-23(25,26)14-38(36,37)30-19-16(9-8-15-5-2-1-3-6-15)10-12-31(21(19)35)13-18(33)29-17-7-4-11-32(20(17)34)22(27)28/h1-3,5-6,10,12,17,20,30,34H,4,7-9,11,13-14H2,(H3,27,28)(H,29,33)/t17-,20?/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50076072
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CC(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H30N6O4/c1-15(30)26-20-17(10-9-16-6-3-2-4-7-16)11-13-28(22(20)33)14-19(31)27-18-8-5-12-29(21(18)32)23(24)25/h2-4,6-7,11,13,18,21,32H,5,8-10,12,14H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t18-,21?/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076068
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O
Show InChI InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1
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n/an/a 2.36E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076066
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076067
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H36N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h11,13,15,17,20,26,30H,2-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076070
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076068
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O
Show InChI InChI=1S/C27H32N6O5S/c28-27(29)33-16-7-12-22(25(33)35)30-23(34)18-32-17-15-20(14-13-19-8-3-1-4-9-19)24(26(32)36)31-39(37,38)21-10-5-2-6-11-21/h1-6,8-11,15,17,22,25,31,35H,7,12-14,16,18H2,(H3,28,29)(H,30,34)/t22-,25?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076074
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O
Show InChI InChI=1S/C20H26N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15,19,24,29H,5,8,11-13H2,(H3,21,22)(H,23,27)/t15-,19?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076067
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H36N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h11,13,15,17,20,26,30H,2-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076066
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H32N6O5S/c1-35(33,34)27-20-17(10-5-9-16-7-3-2-4-8-16)12-14-28(22(20)32)15-19(30)26-18-11-6-13-29(21(18)31)23(24)25/h2-4,7-8,12,14,18,21,27,31H,5-6,9-11,13,15H2,1H3,(H3,24,25)(H,26,30)/t18-,21?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076070
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H30N6O5S/c1-34(32,33)26-19-16(10-9-15-6-3-2-4-7-15)11-13-27(21(19)31)14-18(29)25-17-8-5-12-28(20(17)30)22(23)24/h2-4,6-7,11,13,17,20,26,30H,5,8-10,12,14H2,1H3,(H3,23,24)(H,25,29)/t17-,20?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076069
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C22H31N7O5S/c1-25-35(33,34)27-19-16(10-9-15-6-3-2-4-7-15)11-13-28(21(19)32)14-18(30)26-17-8-5-12-29(20(17)31)22(23)24/h2-4,6-7,11,13,17,20,25,27,31H,5,8-10,12,14H2,1H3,(H3,23,24)(H,26,30)/t17-,20?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076072
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CC(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H30N6O4/c1-15(30)26-20-17(10-9-16-6-3-2-4-7-16)11-13-28(22(20)33)14-19(31)27-18-8-5-12-29(21(18)32)23(24)25/h2-4,6-7,11,13,18,21,32H,5,8-10,12,14H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t18-,21?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076072
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES CC(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O
Show InChI InChI=1S/C23H30N6O4/c1-15(30)26-20-17(10-9-16-6-3-2-4-7-16)11-13-28(22(20)33)14-19(31)27-18-8-5-12-29(21(18)32)23(24)25/h2-4,6-7,11,13,18,21,32H,5,8-10,12,14H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t18-,21?/m0/s1
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Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50076071
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)CC(F)(F)F)c2=O)C1O
Show InChI InChI=1S/C23H29F3N6O5S/c24-23(25,26)14-38(36,37)30-19-16(9-8-15-5-2-1-3-6-15)10-12-31(21(19)35)13-18(33)29-17-7-4-11-32(20(17)34)22(27)28/h1-3,5-6,10,12,17,20,30,34H,4,7-9,11,13-14H2,(H3,27,28)(H,29,33)/t17-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50076071
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)CC(F)(F)F)c2=O)C1O
Show InChI InChI=1S/C23H29F3N6O5S/c24-23(25,26)14-38(36,37)30-19-16(9-8-15-5-2-1-3-6-15)10-12-31(21(19)35)13-18(33)29-17-7-4-11-32(20(17)34)22(27)28/h1-3,5-6,10,12,17,20,30,34H,4,7-9,11,13-14H2,(H3,27,28)(H,29,33)/t17-,20?/m0/s1
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PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair