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Compile Data Set for Download or QSAR

Found 828 hits with Last Name = 'yoon' and Initial = 's'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073160
PNG
(CHEMBL3407762)
Show SMILES CCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl
Show InChI InChI=1/C21H25ClF3N3O4S/c1-4-5-10-32-20-15(7-9-18(27-20)21(22,24)25)12-26-19(29)13(2)14-6-8-17(16(23)11-14)28-33(3,30)31/h6-9,11,13,28H,4-5,10,12H2,1-3H3,(H,26,29)
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0.0200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50049553
PNG
(CHEMBL2177428)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
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0.0200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061298
PNG
(CHEMBL3393837)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-15-8-11-31(12-9-15)21-17(5-6-20(30-21)23(24,25)26)14-28-22(32)29-19-4-2-3-16-13-27-10-7-18(16)19/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,28,29,32)
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0.0200n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of NADA-induced effect at 1 uM by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
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))
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073159
PNG
(CHEMBL3407765)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C22H25ClF3N3O4S/c1-13(14-7-9-18(17(24)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(23,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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0.0400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061298
PNG
(CHEMBL3393837)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-15-8-11-31(12-9-15)21-17(5-6-20(30-21)23(24,25)26)14-28-22(32)29-19-4-2-3-16-13-27-10-7-18(16)19/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,28,29,32)
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0.200n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50049553
PNG
(CHEMBL2177428)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073156
PNG
(CHEMBL3407753)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H28ClF3N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(24,26)27)13-28-22(32)15(2)16-4-6-19(18(25)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073160
PNG
(CHEMBL3407762)
Show SMILES CCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl
Show InChI InChI=1/C21H25ClF3N3O4S/c1-4-5-10-32-20-15(7-9-18(27-20)21(22,24)25)12-26-19(29)13(2)14-6-8-17(16(23)11-14)28-33(3,30)31/h6-9,11,13,28H,4-5,10,12H2,1-3H3,(H,26,29)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061352
PNG
(CHEMBL3393836)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2ccncc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-15-8-11-31(12-9-15)21-17(5-6-20(30-21)23(24,25)26)13-28-22(32)29-19-4-2-3-16-7-10-27-14-18(16)19/h2-7,10,14-15H,8-9,11-13H2,1H3,(H2,28,29,32)
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0.400n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073159
PNG
(CHEMBL3407765)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C22H25ClF3N3O4S/c1-13(14-7-9-18(17(24)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(23,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073183
PNG
(CHEMBL3407760)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCCCC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H28ClF3N4O3S/c1-15(16-7-9-19(18(25)13-16)30-35(2,33)34)22(32)28-14-17-8-10-20(23(24,26)27)29-21(17)31-11-5-3-4-6-12-31/h7-10,13,15,30H,3-6,11-12,14H2,1-2H3,(H,28,32)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50151114
PNG
(CHEMBL3770682)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1/C30H28F4N4O5S2/c1-20(22-13-15-26(25(31)17-22)37-44(2,40)41)29(39)35-18-23-14-16-27(30(32,33)34)36-28(23)38(19-21-9-5-3-6-10-21)45(42,43)24-11-7-4-8-12-24/h3-17,20,37H,18-19H2,1-2H3,(H,35,39)/t20-/s2
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0.540n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073150
PNG
(CHEMBL3407758)
Show SMILES CCCN(CCC)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl
Show InChI InChI=1/C23H30ClF3N4O3S/c1-5-11-31(12-6-2)21-17(8-10-20(29-21)23(24,26)27)14-28-22(32)15(3)16-7-9-19(18(25)13-16)30-35(4,33)34/h7-10,13,15,30H,5-6,11-12,14H2,1-4H3,(H,28,32)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073174
PNG
(CHEMBL3407764)
Show SMILES CC(C)COc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl
Show InChI InChI=1/C21H25ClF3N3O4S/c1-12(2)11-32-20-15(6-8-18(27-20)21(22,24)25)10-26-19(29)13(3)14-5-7-17(16(23)9-14)28-33(4,30)31/h5-9,12-13,28H,10-11H2,1-4H3,(H,26,29)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061319
PNG
(CHEMBL3393838)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-15-9-12-31(13-10-15)21-16(7-8-20(30-21)23(24,25)26)14-28-22(32)29-19-6-2-5-18-17(19)4-3-11-27-18/h2-8,11,15H,9-10,12-14H2,1H3,(H2,28,29,32)
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0.700n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150646
PNG
(CHEMBL3770091)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H26F6N4O5S2/c1-18(20-5-13-26(25(33)15-20)39-46(2,42)43)29(41)37-16-21-6-14-27(30(34,35)36)38-28(21)40(17-19-3-7-22(31)8-4-19)47(44,45)24-11-9-23(32)10-12-24/h3-15,18,39H,16-17H2,1-2H3,(H,37,41)
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0.710n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50151119
PNG
(CHEMBL3769821)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H27ClF4N4O5S2/c1-19(21-8-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-9-15-27(30(33,34)35)37-28(22)39(18-20-6-4-3-5-7-20)46(43,44)24-12-10-23(31)11-13-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40)
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0.760n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073177
PNG
(CHEMBL3407763)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)Cl
Show InChI InChI=1/C23H29ClF3N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(24,26)27)14-28-21(31)15(2)16-8-10-19(18(25)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)
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0.800n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073178
PNG
(CHEMBL3407761)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCN(CC1)c1ccccc1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C27H29ClF3N5O3S/c1-18(19-8-10-23(22(29)16-19)34-40(2,38)39)26(37)32-17-20-9-11-24(27(28,30)31)33-25(20)36-14-12-35(13-15-36)21-6-4-3-5-7-21/h3-11,16,18,34H,12-15,17H2,1-2H3,(H,32,37)
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0.800n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073155
PNG
(CHEMBL3407754)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C1CC1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C25H33FN4O3S/c1-16-10-12-30(13-11-16)24-20(7-8-22(28-24)18-4-5-18)15-27-25(31)17(2)19-6-9-23(21(26)14-19)29-34(3,32)33/h6-9,14,16-18,29H,4-5,10-13,15H2,1-3H3,(H,27,31)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073171
PNG
(CHEMBL3407949)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCCC1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H27ClF3N3O4S/c1-14(15-8-10-19(18(25)12-15)30-35(2,32)33)21(31)28-13-16-9-11-20(23(24,26)27)29-22(16)34-17-6-4-3-5-7-17/h8-12,14,17,30H,3-7,13H2,1-2H3,(H,28,31)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073170
PNG
(CHEMBL3407950)
Show SMILES CC(C(=O)NCc1ccc(nc1OCc1ccccc1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H23ClF3N3O4S/c1-15(17-8-10-20(19(26)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(25,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150058
PNG
(CHEMBL3770670)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H26ClF5N4O5S2/c1-18(20-5-13-26(25(33)15-20)39-46(2,42)43)29(41)37-16-21-6-14-27(30(34,35)36)38-28(21)40(17-19-3-7-22(31)8-4-19)47(44,45)24-11-9-23(32)10-12-24/h3-15,18,39H,16-17H2,1-2H3,(H,37,41)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073157
PNG
(CHEMBL3407752)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H29F3N4O3S/c1-14-8-10-30(11-9-14)22-17(5-7-20(28-22)21(25)26)13-27-23(31)15(2)16-4-6-19(18(24)12-16)29-34(3,32)33/h4-7,12,14-15,21,29H,8-11,13H2,1-3H3,(H,27,31)
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50107120
PNG
((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Eur J Med Chem 90: 332-41 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.025
BindingDB Entry DOI: 10.7270/Q2930VV0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50073149
PNG
(CHEMBL3407759)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CC(C)CC(C)C1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H30ClF3N4O3S/c1-14-9-15(2)13-32(12-14)22-18(6-8-21(30-22)24(25,27)28)11-29-23(33)16(3)17-5-7-20(19(26)10-17)31-36(4,34)35/h5-8,10,14-16,31H,9,11-13H2,1-4H3,(H,29,33)
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 93: 101-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.001
BindingDB Entry DOI: 10.7270/Q2N0188S
More data for this
Ligand-Target Pair
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