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Compile Data Set for Download or QSAR

Found 2176 hits with Last Name = 'martel' and Initial = 'a'   
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
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435812
PNG
(CHEMBL2393201)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)
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 7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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 8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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 8 -45.7n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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 8n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator

Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM14152
PNG
(6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-C...)
Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1
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 9 -45.5n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435813
PNG
(CHEMBL2393200)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H21F3N4O2S/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(34-22)15-10-12-16(13-11-15)33-24(25,26)27/h4-14H,1-3H3,(H,29,31)
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 10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444488
PNG
(CHEMBL3092613)
Show SMILES CC(C)(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N4O3/c1-26(2,3)17-34-15-13-21-18(16-34)6-4-8-23(21)36-24-22(7-5-14-31-24)33-25(35)32-19-9-11-20(12-10-19)37-27(28,29)30/h4-12,14H,13,15-17H2,1-3H3,(H2,32,33,35)
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 11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50115868
PNG
(2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZO...)
Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator

Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM14149
PNG
(6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohex...)
Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=N)c(F)cc3[nH]2)c1O |r|
Show InChI InChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1
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 11 -45.0n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435825
PNG
(CHEMBL2393213)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c1-23(2,3)17-12-7-8-14-19(17)28-20-18(13-9-15-24-20)25-22-27-26-21(29-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
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 11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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 14n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435828
PNG
(CHEMBL2390979)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-16-12-10-15(11-13-16)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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 15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435829
PNG
(CHEMBL2393211)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C24H23N3OS/c1-24(2,3)18-12-7-8-14-20(18)28-22-19(13-9-15-25-22)27-23-26-16-21(29-23)17-10-5-4-6-11-17/h4-16H,1-3H3,(H,26,27)
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 15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444487
PNG
(CHEMBL3092631)
Show SMILES CC(C)(C)CN1CCC(CC1)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H33F3N4O3/c1-28(2,3)19-36-17-14-20(15-18-36)23-7-4-5-9-25(23)38-26-24(8-6-16-33-26)35-27(37)34-21-10-12-22(13-11-21)39-29(30,31)32/h4-13,16,20H,14-15,17-19H2,1-3H3,(H2,34,35,37)
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 16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435807
PNG
(CHEMBL2393206)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H24N4OS/c1-27(2,3)21-11-6-7-13-23(21)32-24-22(12-8-16-28-24)29-26-31-30-25(33-26)20-15-14-18-9-4-5-10-19(18)17-20/h4-17H,1-3H3,(H,29,31)
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 18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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 19n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease tissue type Plasminogen Activator (t-PA).

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435819
PNG
(CHEMBL2393219)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(on1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-24(2,3)18-12-7-8-14-20(18)28-23-19(13-9-15-25-23)26-22-16-21(29-27-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H,26,27)
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 19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM14150
PNG
(APC-11417 | CA-12 | CRA-11417 | {amino[6-fluoro-2-...)
Show SMILES NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16FN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1
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 20 -43.5n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435806
PNG
(CHEMBL2393207)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C22H21N5OS/c1-22(2,3)15-9-4-5-12-18(15)28-19-16(11-8-14-24-19)25-21-27-26-20(29-21)17-10-6-7-13-23-17/h4-14H,1-3H3,(H,25,27)
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 21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435818
PNG
(CHEMBL2393220)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-24(2,3)18-12-7-8-14-21(18)28-23-19(13-9-15-25-23)26-22-16-20(27-29-22)17-10-5-4-6-11-17/h4-16,26H,1-3H3
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 23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM14149
PNG
(6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohex...)
Show SMILES C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=N)c(F)cc3[nH]2)c1O |r|
Show InChI InChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1
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 25 -43.0n/an/an/an/an/a8.222



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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 25n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435824
PNG
(CHEMBL2393214)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-26-20(27-29-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,26,27)
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 25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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 26n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435811
PNG
(CHEMBL2393202)
Show SMILES CN(C)c1ccc(cc1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C25H27N5OS/c1-25(2,3)19-9-6-7-11-21(19)31-22-20(10-8-16-26-22)27-24-29-28-23(32-24)17-12-14-18(15-13-17)30(4)5/h6-16H,1-5H3,(H,27,29)
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 27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444486
PNG
(CHEMBL3091475)
Show SMILES CC(C)(C)CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1
Show InChI InChI=1S/C26H27F3N4O3/c1-25(2,3)16-33-14-17-6-4-8-22(20(17)15-33)35-23-21(7-5-13-30-23)32-24(34)31-18-9-11-19(12-10-18)36-26(27,28)29/h4-13H,14-16H2,1-3H3,(H2,31,32,34)
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 29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50115869
PNG
(6-Fluoro-2-[2-hydroxy-3-((S)-2-methyl-cyclohexylox...)
Show SMILES C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17+/m1/s1
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 32n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator

Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50115871
PNG
(6-Fluoro-2-[2-hydroxy-3-((S)-2-methyl-cyclopentylo...)
Show SMILES C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C20H21FN4O2/c1-10-4-2-6-16(10)27-17-7-3-5-11(18(17)26)20-24-14-8-12(19(22)23)13(21)9-15(14)25-20/h3,5,7-10,16,26H,2,4,6H2,1H3,(H3,22,23)(H,24,25)/t10-,16-/m0/s1
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 32n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator

Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM14142
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phe...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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 35n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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 35n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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 35n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50115874
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-indole-5-carboxa...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O2/c22-21(23)13-9-10-17-14(11-13)12-18(24-17)16-7-4-8-19(20(16)25)26-15-5-2-1-3-6-15/h1-12,24-25H,(H3,22,23)
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 35n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator

Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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 38n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435827
PNG
(CHEMBL2393210)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-22(2,3)17-12-7-8-14-19(17)27-20-18(13-9-15-23-20)25-21(26)24-16-10-5-4-6-11-16/h4-15H,1-3H3,(H2,24,25,26)
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 41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50102786
PNG
(2-(5-Bromo-2-hydroxy-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16BrN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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 43n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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 43n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435817
PNG
(CHEMBL2393196)
Show SMILES Cn1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(29(4)28-23)18-11-6-5-7-12-18/h5-17H,1-4H3,(H,27,28)
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 45n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50101873
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
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 52n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444485
PNG
(CHEMBL3092620)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CN(Cc4ccccc4)CCc23)cc1
Show InChI InChI=1S/C29H25F3N4O3/c30-29(31,32)39-23-13-11-22(12-14-23)34-28(37)35-25-9-5-16-33-27(25)38-26-10-4-8-21-19-36(17-15-24(21)26)18-20-6-2-1-3-7-20/h1-14,16H,15,17-19H2,(H2,34,35,37)
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 55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435810
PNG
(CHEMBL2393203)
Show SMILES CN(C)c1cccc(c1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
Show InChI InChI=1S/C25H27N5OS/c1-25(2,3)19-12-6-7-14-21(19)31-22-20(13-9-15-26-22)27-24-29-28-23(32-24)17-10-8-11-18(16-17)30(4)5/h6-16H,1-5H3,(H,27,29)
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 55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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 55n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50101873
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
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 55n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444484
PNG
(CHEMBL3092629)
Show SMILES CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1C(C)(C)C
Show InChI InChI=1S/C26H27F3N4O3/c1-25(2,3)22-21-16(15-33(22)4)7-5-9-20(21)35-23-19(8-6-14-30-23)32-24(34)31-17-10-12-18(13-11-17)36-26(27,28)29/h5-14,22H,15H2,1-4H3,(H2,31,32,34)
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 57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435826
PNG
(CHEMBL2393212)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O2/c1-24(2,3)18-12-7-8-14-20(18)28-22-19(13-9-15-25-22)27-23-26-16-21(29-23)17-10-5-4-6-11-17/h4-16H,1-3H3,(H,26,27)
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 59n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444483
PNG
(CHEMBL3092614)
Show SMILES CC(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H27F3N4O3/c1-17(2)15-33-14-12-21-18(16-33)5-3-7-23(21)35-24-22(6-4-13-30-24)32-25(34)31-19-8-10-20(11-9-19)36-26(27,28)29/h3-11,13,17H,12,14-16H2,1-2H3,(H2,31,32,34)
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 60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50444482
PNG
(CHEMBL3092628)
Show SMILES CC(C)CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1
Show InChI InChI=1S/C25H25F3N4O3/c1-16(2)13-32-14-17-5-3-7-22(20(17)15-32)34-23-21(6-4-12-29-23)31-24(33)30-18-8-10-19(11-9-18)35-25(26,27)28/h3-12,16H,13-15H2,1-2H3,(H2,30,31,33)
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 68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method

Bioorg Med Chem Lett 23: 6825-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.009
BindingDB Entry DOI: 10.7270/Q2TQ630T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM14146
PNG
(APC-9008 | {amino[2-(3,5-dichloro-2-hydroxyphenyl)...)
Show SMILES NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C15H11Cl2N3O/c16-9-5-10(14(21)11(17)6-9)13-4-8-3-7(15(18)19)1-2-12(8)20-13/h1-6,20-21H,(H3,18,19)/p+1
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 70n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435822
PNG
(CHEMBL2393216)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c1-23(2,3)17-12-7-8-14-19(17)28-21-18(13-9-15-24-21)25-22-27-26-20(29-22)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,25,27)
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 70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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 75n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.

J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM14156
PNG
(3-bromo-N-(4-carbamimidoylphenyl)-2-hydroxy-5-meth...)
Show SMILES Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C15H14BrN3O2/c1-8-6-11(13(20)12(16)7-8)15(21)19-10-4-2-9(3-5-10)14(17)18/h2-7,20H,1H3,(H3,17,18)(H,19,21)
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 77 -40.2n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...

Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
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