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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'park' and Initial = 'sk'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111110
PNG
(2N-(4-Benzamidinemethyl)-1-[2-aminosulfonamido-3,3...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H32N6O4S/c29-26(30)22-15-13-19(14-16-22)18-32-27(35)23-12-7-17-34(23)28(36)25(33-39(31,37)38)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-25,33H,7,12,17-18H2,(H3,29,30)(H,32,35)(H2,31,37,38)/t23-,25+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111101
PNG
((S)-1-((R)-2-Methanesulfonylamino-3,3-diphenyl-pro...)
Show SMILES CS(=O)(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4S/c1-39(37,38)33-26(25(21-9-4-2-5-10-21)22-11-6-3-7-12-22)29(36)34-18-8-13-24(34)28(35)32-19-20-14-16-23(17-15-20)27(30)31/h2-7,9-12,14-17,24-26,33H,8,13,18-19H2,1H3,(H3,30,31)(H,32,35)/t24-,26+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131789
PNG
(1-(2-sulfonamide-amino-3,3-diphenyl-propionyl)-pyr...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C26H30N6O4S2/c27-24(28)21-14-13-19(37-21)16-30-25(33)20-12-7-15-32(20)26(34)23(31-38(29,35)36)22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,20,22-23,31H,7,12,15-16H2,(H3,27,28)(H,30,33)(H2,29,35,36)/t20-,23+/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111105
PNG
((S)-1-((R)-2-Methanesulfonylamino-3,3-diphenyl-pro...)
Show SMILES CS(=O)(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C27H31N5O4S2/c1-38(35,36)31-24(23(18-9-4-2-5-10-18)19-11-6-3-7-12-19)27(34)32-16-8-13-21(32)26(33)30-17-20-14-15-22(37-20)25(28)29/h2-7,9-12,14-15,21,23-24,31H,8,13,16-17H2,1H3,(H3,28,29)(H,30,33)/t21-,24+/m0/s1
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0.00500n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131790
PNG
(1-(2-sulfonamideamino-3,3-diphenyl-propionyl)-pyrr...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C28H31FN6O4S/c29-22-16-18(13-14-21(22)26(30)31)17-33-27(36)23-12-7-15-35(23)28(37)25(34-40(32,38)39)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,23-25,34H,7,12,15,17H2,(H3,30,31)(H,33,36)(H2,32,38,39)/t23-,25+/m0/s1
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0.00800n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131795
PNG
(1-(2-sulfonamideamino-3,3-diphenyl-propionyl)-pyrr...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C28H31FN6O4S/c29-22-16-20(26(30)31)13-14-21(22)17-33-27(36)23-12-7-15-35(23)28(37)25(34-40(32,38)39)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,23-25,34H,7,12,15,17H2,(H3,30,31)(H,33,36)(H2,32,38,39)/t23-,25+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131778
PNG
(3-(1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCCC(O)=O)C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C29H33N5O4S/c30-27(31)23-14-13-21(39-23)18-33-28(37)22-12-7-17-34(22)29(38)26(32-16-15-24(35)36)25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,22,25-26,32H,7,12,15-18H2,(H3,30,31)(H,33,37)(H,35,36)/t22-,26+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111120
PNG
(2N-(4-Benzamidinemethyl)-1-[2-Aminoaceticacid-3,3-...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H33N5O4/c31-28(32)23-15-13-20(14-16-23)18-34-29(38)24-12-7-17-35(24)30(39)27(33-19-25(36)37)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24,26-27,33H,7,12,17-19H2,(H3,31,32)(H,34,38)(H,36,37)/t24-,27+/m0/s1
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0.0130n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131780
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-yl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131796
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-yl...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C28H31N5O4S/c1-37-28(36)32-24(23(18-9-4-2-5-10-18)19-11-6-3-7-12-19)27(35)33-16-8-13-21(33)26(34)31-17-20-14-15-22(38-20)25(29)30/h2-7,9-12,14-15,21,23-24H,8,13,16-17H2,1H3,(H3,29,30)(H,31,34)(H,32,36)/t21-,24+/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131791
PNG
(1-(2-sulfonamideamino-3,3-diphenyl-propionyl)-pyrr...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cn1
Show InChI InChI=1S/C27H31N7O4S/c28-25(29)21-14-13-18(16-31-21)17-32-26(35)22-12-7-15-34(22)27(36)24(33-39(30,37)38)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,22-24,33H,7,12,15,17H2,(H3,28,29)(H,32,35)(H2,30,37,38)/t22-,24+/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131792
PNG
((1-Benzhydryl-2-{2-[(6-carbamimidoyl-pyridin-3-ylm...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(nc1)C(N)=N
Show InChI InChI=1S/C29H32N6O4/c1-39-29(38)34-25(24(20-9-4-2-5-10-20)21-11-6-3-7-12-21)28(37)35-16-8-13-23(35)27(36)33-18-19-14-15-22(26(30)31)32-17-19/h2-7,9-12,14-15,17,23-25H,8,13,16,18H2,1H3,(H3,30,31)(H,33,36)(H,34,38)/t23-,25+/m0/s1
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0.0170n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131798
PNG
(1-(2-Methylamino-3,3-diphenyl-propionyl)-pyrrolidi...)
Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)co1
Show InChI InChI=1S/C26H30N6O5S/c27-24(28)21-14-17(16-37-21)15-30-25(33)20-12-7-13-32(20)26(34)23(31-38(29,35)36)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,14,16,20,22-23,31H,7,12-13,15H2,(H3,27,28)(H,30,33)(H2,29,35,36)/t20-,23+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131782
PNG
(1-(2-sulfonamide-amino-3,3-diphenyl-propionyl)-pyr...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C26H30N6O4S2/c27-24(28)19-14-20(37-16-19)15-30-25(33)21-12-7-13-32(21)26(34)23(31-38(29,35)36)22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14,16,21-23,31H,7,12-13,15H2,(H3,27,28)(H,30,33)(H2,29,35,36)/t21-,23+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111122
PNG
(2N-(4-Benzamidinemethyl)-1-[2-Carbamicacidmethyles...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C30H33N5O4/c1-39-30(38)34-26(25(21-9-4-2-5-10-21)22-11-6-3-7-12-22)29(37)35-18-8-13-24(35)28(36)33-19-20-14-16-23(17-15-20)27(31)32/h2-7,9-12,14-17,24-26H,8,13,18-19H2,1H3,(H3,31,32)(H,33,36)(H,34,38)/t24-,26+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131787
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-3-yl...)
Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)cs1
Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-18(17-38-22)15-32-27(36)21-12-7-13-33(21)28(37)25(31-16-23(34)35)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14,17,21,24-25,31H,7,12-13,15-16H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131781
PNG
(1-(2-sulfonamide-amino-3,3-diphenyl-propionyl)-pyr...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C25H29N7O4S2/c26-23(27)18-15-37-20(30-18)14-29-24(33)19-12-7-13-32(19)25(34)22(31-38(28,35)36)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,15,19,21-22,31H,7,12-14H2,(H3,26,27)(H,29,33)(H2,28,35,36)/t19-,22+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131797
PNG
(1-(2-sulfonamide-amino-3,3-diphenyl-propionyl)-pyr...)
Show SMILES NC(=N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cs1
Show InChI InChI=1S/C26H30N6O4S2/c27-24(28)21-14-17(16-37-21)15-30-25(33)20-12-7-13-32(20)26(34)23(31-38(29,35)36)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,14,16,20,22-23,31H,7,12-13,15H2,(H3,27,28)(H,30,33)(H2,29,35,36)/t20-,23+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131779
PNG
((1-Benzhydryl-2-{2-[(4-carbamimidoyl-thiophen-2-yl...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(cs1)C(N)=N
Show InChI InChI=1S/C28H31N5O4S/c1-37-28(36)32-24(23(18-9-4-2-5-10-18)19-11-6-3-7-12-19)27(35)33-14-8-13-22(33)26(34)31-16-21-15-20(17-38-21)25(29)30/h2-7,9-12,15,17,22-24H,8,13-14,16H2,1H3,(H3,29,30)(H,31,34)(H,32,36)/t22-,24+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Trypsin II


(Homo sapiens (Human))
BDBM50131780
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-yl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human human trypsin was determined


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131784
PNG
(2-{4-[(Z)-amino(hydrazono)methyl]phenyl}-N-cyclope...)
Show SMILES CN(C1CCCC1)C(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(cc1)C(N)=NN |w:32.36|
Show InChI InChI=1S/C25H29N5O3S/c1-30(21-8-4-5-9-21)25(31)23(18-10-12-19(13-11-18)24(26)28-27)29-34(32,33)22-15-14-17-6-2-3-7-20(17)16-22/h2-3,6-7,10-16,21,23,29H,4-5,8-9,27H2,1H3,(H2,26,28)
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0.400n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131783
PNG
(1-(2-sulfonamide-amino-3,3-diphenyl-propionyl)-pyr...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)o1
Show InChI InChI=1S/C26H30N6O5S/c27-24(28)21-14-13-19(37-21)16-30-25(33)20-12-7-15-32(20)26(34)23(31-38(29,35)36)22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,20,22-23,31H,7,12,15-16H2,(H3,27,28)(H,30,33)(H2,29,35,36)/t20-,23+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131788
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-3-yl...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(c1)C(N)=N
Show InChI InChI=1S/C28H31N5O4S/c1-37-28(36)32-24(23(19-9-4-2-5-10-19)20-11-6-3-7-12-20)27(35)33-14-8-13-21(33)26(34)31-16-18-15-22(25(29)30)38-17-18/h2-7,9-12,15,17,21,23-24H,8,13-14,16H2,1H3,(H3,29,30)(H,31,34)(H,32,36)/t21-,24+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131793
PNG
((1-Benzhydryl-2-{2-[(4-carbamimidoyl-thiazol-2-ylm...)
Show SMILES NC(=N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C27H30N6O4S/c28-25(29)19-16-38-21(32-19)14-31-26(36)20-12-7-13-33(20)27(37)24(30-15-22(34)35)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,16,20,23-24,30H,7,12-15H2,(H3,28,29)(H,31,36)(H,34,35)/t20-,24+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50131777
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-furan-3-ylmet...)
Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1coc(c1)C(N)=N
Show InChI InChI=1S/C28H31N5O5/c1-37-28(36)32-24(23(19-9-4-2-5-10-19)20-11-6-3-7-12-20)27(35)33-14-8-13-21(33)26(34)31-16-18-15-22(25(29)30)38-17-18/h2-7,9-12,15,17,21,23-24H,8,13-14,16H2,1H3,(H3,29,30)(H,31,34)(H,32,36)/t21-,24+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310131
PNG
((2-hydroxy-4-(3-isobutyl-5-methylhexylidene)-5-oxo...)
Show SMILES CC(C)CC(C\C=C1\CC(O)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C21H36O5/c1-14(2)10-16(11-15(3)4)8-9-17-12-21(24,26-18(17)22)13-25-19(23)20(5,6)7/h9,14-16,24H,8,10-13H2,1-7H3/b17-9-
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2.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50131780
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-yl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1
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3n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human bovine trypsin was determined


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310107
PNG
((E)-(2-(hydroxymethyl)-4-(8-(nonyloxy)octylidene)-...)
Show SMILES CCCCCCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-5-6-7-8-10-13-16-19-32-20-17-14-11-9-12-15-18-24-21-28(22-29,34-25(24)30)23-33-26(31)27(2,3)4/h18,29H,5-17,19-23H2,1-4H3/b24-18+
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3.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50038001
PNG
((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human thrombin


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310104
PNG
((E)-(2-(hydroxymethyl)-4-(16-methoxyhexadecylidene...)
Show SMILES COCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-27(2,3)26(31)33-23-28(22-29)21-24(25(30)34-28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-32-4/h19,29H,5-18,20-23H2,1-4H3/b24-19+
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4.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310105
PNG
((Z)-(2-(hydroxymethyl)-4-(16-methoxyhexadecylidene...)
Show SMILES COCCCCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-27(2,3)26(31)33-23-28(22-29)21-24(25(30)34-28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-32-4/h19,29H,5-18,20-23H2,1-4H3/b24-19-
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5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310120
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(16-oxohexadecylide...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C27H46O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18-19,29H,4-17,20-22H2,1-3H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310115
PNG
((E)-(4-(16-hydroxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C27H48O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,28-29H,4-17,19-22H2,1-3H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310124
PNG
((E)-methyl 16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyl...)
Show SMILES COC(=O)CCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H48O7/c1-27(2,3)26(32)34-22-28(21-29)20-23(25(31)35-28)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24(30)33-4/h18,29H,5-17,19-22H2,1-4H3/b23-18+
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6.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310101
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-tetradecylidenetetr...)
Show SMILES CCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25(19-26,30-22(21)27)20-29-23(28)24(2,3)4/h17,26H,5-16,18-20H2,1-4H3/b21-17-
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7.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310112
PNG
((E)-(2-(hydroxymethyl)-4-(4-(nonyloxy)butylidene)-...)
Show SMILES CCCCCCCCCOCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-5-6-7-8-9-10-12-15-28-16-13-11-14-20-17-24(18-25,30-21(20)26)19-29-22(27)23(2,3)4/h14,25H,5-13,15-19H2,1-4H3/b20-14+
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7.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310110
PNG
((E)-(2-(hydroxymethyl)-4-(8-(isopentyloxy)octylide...)
Show SMILES CC(C)CCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-19(2)13-15-28-14-11-9-7-6-8-10-12-20-16-24(17-25,30-21(20)26)18-29-22(27)23(3,4)5/h12,19,25H,6-11,13-18H2,1-5H3/b20-12+
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7.70n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310100
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-tetradecylidenetetr...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25(19-26,30-22(21)27)20-29-23(28)24(2,3)4/h17,26H,5-16,18-20H2,1-4H3/b21-17+
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310125
PNG
((E)-(4-(16-(formyloxy)hexadecylidene)-2-(hydroxyme...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCOC=O)C(=O)O1
Show InChI InChI=1S/C28H48O7/c1-27(2,3)26(32)34-22-28(21-29)20-24(25(31)35-28)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-33-23-30/h18,23,29H,4-17,19-22H2,1-3H3/b24-18+
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8n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310106
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(8-(pentyloxy)octyl...)
Show SMILES CCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-5-6-12-15-28-16-13-10-8-7-9-11-14-20-17-24(18-25,30-21(20)26)19-29-22(27)23(2,3)4/h14,25H,5-13,15-19H2,1-4H3/b20-14+
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8.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310116
PNG
((Z)-(4-(16-hydroxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C27H48O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,28-29H,4-17,19-22H2,1-3H3/b23-18-
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8.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310103
PNG
((E)-(2-(hydroxymethyl)-4-(12-methoxydodecylidene)-...)
Show SMILES COCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-23(2,3)22(27)29-19-24(18-25)17-20(21(26)30-24)15-13-11-9-7-5-6-8-10-12-14-16-28-4/h15,25H,5-14,16-19H2,1-4H3/b20-15+
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8.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310130
PNG
((E)-(4-(16-acetamidohexadecylidene)-2-(hydroxymeth...)
Show SMILES CC(=O)NCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C29H51NO6/c1-24(32)30-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-21-29(22-31,36-26(25)33)23-35-27(34)28(2,3)4/h19,31H,5-18,20-23H2,1-4H3,(H,30,32)/b25-19+
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8.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310126
PNG
((E)-(4-(16-acetoxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C29H50O7/c1-24(31)34-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-21-29(22-30,36-26(25)32)23-35-27(33)28(2,3)4/h19,30H,5-18,20-23H2,1-4H3/b25-19+
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9.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310111
PNG
((E)-(4-(8-(cyclopentyloxy)octylidene)-2-(hydroxyme...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCOC2CCCC2)C(=O)O1
Show InChI InChI=1S/C24H40O6/c1-23(2,3)22(27)29-18-24(17-25)16-19(21(26)30-24)12-8-6-4-5-7-11-15-28-20-13-9-10-14-20/h12,20,25H,4-11,13-18H2,1-3H3/b19-12+
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10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310127
PNG
((E)-16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyloxymeth...)
Show SMILES CC(C)(C)C(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C32H56O7/c1-30(2,3)28(35)37-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-23-32(24-33,39-27(26)34)25-38-29(36)31(4,5)6/h21,33H,7-20,22-25H2,1-6H3/b26-21+
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11n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310121
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(16-oxohexadecylide...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C27H46O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18-19,29H,4-17,20-22H2,1-3H3/b23-18-
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11n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310114
PNG
((E)-(4-(12-hydroxydodecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C23H40O6/c1-22(2,3)21(27)28-18-23(17-25)16-19(20(26)29-23)14-12-10-8-6-4-5-7-9-11-13-15-24/h14,24-25H,4-13,15-18H2,1-3H3/b19-14+
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15n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310128
PNG
((E)-(4-(16-azidohexadecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCN=[N+]=[N-])C(=O)O1
Show InChI InChI=1S/C27H47N3O5/c1-26(2,3)25(33)34-22-27(21-31)20-23(24(32)35-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-29-30-28/h18,31H,4-17,19-22H2,1-3H3/b23-18+
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16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50131780
PNG
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-yl...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1
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22.5n/an/an/an/an/an/an/an/a



LG Life Sciences Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition constant (Ki) against human Coagulation factor X was determined


J Med Chem 46: 3612-22 (2003)


Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3
More data for this
Ligand-Target Pair
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