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PubMed code 7473584

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Renin


(Homo sapiens (Human))		BDBM50029588
PNG
((2R,3S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3...)
Show SMILES CCOC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H51N3O7/c1-7-41-30(39)27(36)24(19-22-14-10-8-11-15-22)33-28(37)25(18-21(2)3)34-29(38)26(20-23-16-12-9-13-17-23)35-31(40)42-32(4,5)6/h9,12-13,16-17,21-22,24-27,36H,7-8,10-11,14-15,18-20H2,1-6H3,(H,33,37)(H,34,38)(H,35,40)/t24-,25-,26-,27+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029584
PNG
(CHEMBL334907 | [(1S,2S)-3-Cyclohexyl-1-hydroxy-2-(...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C31H51N4O8P/c1-22(2)19-25(28(36)33-27(21-24-13-9-6-10-14-24)30(38)44(40,41-3)42-4)32-29(37)26(20-23-11-7-5-8-12-23)34-31(39)35-15-17-43-18-16-35/h5,7-8,11-12,22,24-27,30,38H,6,9-10,13-21H2,1-4H3,(H,32,37)(H,33,36)(H,34,39)/t25-,26-,27-,30-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029580
PNG
(CHEMBL344155 | {(1S,2S)-2-[(S)-2-((S)-2-tert-Butox...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H52N3O8P/c1-21(2)18-24(27(35)33-26(20-23-16-12-9-13-17-23)29(37)43(39,40-6)41-7)32-28(36)25(19-22-14-10-8-11-15-22)34-30(38)42-31(3,4)5/h8,10-11,14-15,21,23-26,29,37H,9,12-13,16-20H2,1-7H3,(H,32,36)(H,33,35)(H,34,38)/t24-,25-,26-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin.

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029589
PNG
(3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-phenyl-...)
Show SMILES CCOC(=O)C(=O)C(CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H49N3O7/c1-7-41-30(39)27(36)24(19-22-14-10-8-11-15-22)33-28(37)25(18-21(2)3)34-29(38)26(20-23-16-12-9-13-17-23)35-31(40)42-32(4,5)6/h9,12-13,16-17,21-22,24-26H,7-8,10-11,14-15,18-20H2,1-6H3,(H,33,37)(H,34,38)(H,35,40)/t24?,25-,26-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029591
PNG
(((1S,2S)-3-Cyclohexyl-2-{(S)-2-[(S)-2-(cyclopentan...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C32H52N3O7P/c1-22(2)19-26(30(37)35-28(21-24-15-9-6-10-16-24)32(39)43(40,41-3)42-4)34-31(38)27(20-23-13-7-5-8-14-23)33-29(36)25-17-11-12-18-25/h5,7-8,13-14,22,24-28,32,39H,6,9-12,15-21H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t26-,27-,28-,32-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029586
PNG
(CHEMBL407513 | {(1S,2S)-2-[(S)-2-((S)-2-tert-Butox...)
Show SMILES CCOP(=O)(OCC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H56N3O8P/c1-8-42-45(41,43-9-2)31(39)28(22-25-18-14-11-15-19-25)35-29(37)26(20-23(3)4)34-30(38)27(21-24-16-12-10-13-17-24)36-32(40)44-33(5,6)7/h10,12-13,16-17,23,25-28,31,39H,8-9,11,14-15,18-22H2,1-7H3,(H,34,38)(H,35,37)(H,36,40)/t26-,27-,28-,31-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin.

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029592
PNG
(((1S,2S)-2-{(S)-2-[(S)-2-(6-Amino-hexanoylamino)-3...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN
Show InChI InChI=1S/C32H55N4O7P/c1-23(2)20-26(30(38)36-28(22-25-16-10-6-11-17-25)32(40)44(41,42-3)43-4)35-31(39)27(21-24-14-8-5-9-15-24)34-29(37)18-12-7-13-19-33/h5,8-9,14-15,23,25-28,32,40H,6-7,10-13,16-22,33H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/t26-,27-,28-,32-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029578
PNG
(((1S,2S)-3-Cyclohexyl-2-{(S)-2-[(S)-2-(cyclopentan...)
Show SMILES CCOP(=O)(OCC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C34H56N3O7P/c1-5-43-45(42,44-6-2)34(41)30(23-26-17-11-8-12-18-26)37-32(39)28(21-24(3)4)36-33(40)29(22-25-15-9-7-10-16-25)35-31(38)27-19-13-14-20-27/h7,9-10,15-16,24,26-30,34,41H,5-6,8,11-14,17-23H2,1-4H3,(H,35,38)(H,36,40)(H,37,39)/t28-,29-,30-,34-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin.

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029582
PNG
(CHEMBL336245 | [(1S,2S)-3-Cyclohexyl-1-hydroxy-2-(...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C31H47N6O8P/c1-43-46(42,44-2)30(40)27(18-23-11-7-4-8-12-23)35-29(39)26(19-24-20-32-21-33-24)34-28(38)25(17-22-9-5-3-6-10-22)36-31(41)37-13-15-45-16-14-37/h3,5-6,9-10,20-21,23,25-27,30,40H,4,7-8,11-19H2,1-2H3,(H,32,33)(H,34,38)(H,35,39)(H,36,41)/t25-,26-,27-,30-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029581
PNG
(((S)-3-Cyclohexyl-2-{(S)-2-[(S)-2-(cyclopentanecar...)
Show SMILES CCP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C33H54N3O6P/c1-5-43(41,42-4)33(40)29(22-25-16-10-7-11-17-25)36-31(38)27(20-23(2)3)35-32(39)28(21-24-14-8-6-9-15-24)34-30(37)26-18-12-13-19-26/h6,8-9,14-15,23,25-29,33,40H,5,7,10-13,16-22H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/t27-,28-,29-,33?,43?/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin. value in parentheses indicate no. of determinations

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029581
PNG
(((S)-3-Cyclohexyl-2-{(S)-2-[(S)-2-(cyclopentanecar...)
Show SMILES CCP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C33H54N3O6P/c1-5-43(41,42-4)33(40)29(22-25-16-10-7-11-17-25)36-31(38)27(20-23(2)3)35-32(39)28(21-24-14-8-6-9-15-24)34-30(37)26-18-12-13-19-26/h6,8-9,14-15,23,25-29,33,40H,5,7,10-13,16-22H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/t27-,28-,29-,33?,43?/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin. value in parentheses indicate no. of determinations

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029579
PNG
(CHEMBL436018 | {(1S,2S)-3-Cyclohexyl-2-[(S)-2-[(S)...)
Show SMILES COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C32H48N5O7P/c1-43-45(42,44-2)32(41)28(18-23-13-7-4-8-14-23)37-31(40)27(19-25-20-33-21-34-25)36-30(39)26(17-22-11-5-3-6-12-22)35-29(38)24-15-9-10-16-24/h3,5-6,11-12,20-21,23-24,26-28,32,41H,4,7-10,13-19H2,1-2H3,(H,33,34)(H,35,38)(H,36,39)(H,37,40)/t26-,27-,28-,32-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029590
PNG
(CHEMBL140422 | Cyclopentanecarboxylic acid ((S)-1-...)
Show SMILES CCP(=O)(CC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C34H56N3O5P/c1-5-43(42,6-2)34(41)30(23-26-17-11-8-12-18-26)37-32(39)28(21-24(3)4)36-33(40)29(22-25-15-9-7-10-16-25)35-31(38)27-19-13-14-20-27/h7,9-10,15-16,24,26-30,34,41H,5-6,8,11-14,17-23H2,1-4H3,(H,35,38)(H,36,40)(H,37,39)/t28-,29-,30-,34-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin. value in parentheses indicate no. of determinations

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029583
PNG
(CHEMBL343814 | Cyclopentanecarboxylic acid ((S)-1-...)
Show SMILES CCP(=O)(CC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C34H56N3O5P/c1-5-43(42,6-2)34(41)30(23-26-17-11-8-12-18-26)37-32(39)28(21-24(3)4)36-33(40)29(22-25-15-9-7-10-16-25)35-31(38)27-19-13-14-20-27/h7,9-10,15-16,24,26-30,34,41H,5-6,8,11-14,17-23H2,1-4H3,(H,35,38)(H,36,40)(H,37,39)/t28-,29-,30-,34+/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin. value in parentheses indicate no. of determinations

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029587
PNG
(((1S,2S)-3-Cyclohexyl-2-{(S)-2-[(S)-2-(cyclopentan...)
Show SMILES COP(O)(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C31H50N3O7P/c1-21(2)18-25(29(36)34-27(31(38)42(39,40)41-3)20-23-14-8-5-9-15-23)33-30(37)26(19-22-12-6-4-7-13-22)32-28(35)24-16-10-11-17-24/h4,6-7,12-13,21,23-27,31,38H,5,8-11,14-20H2,1-3H3,(H,32,35)(H,33,37)(H,34,36)(H,39,40)/t25-,26-,27-,31-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50029585
PNG
(CHEMBL140146 | {(1R,2S)-2-[(S)-2-((S)-2-tert-Butox...)
Show SMILES CCOP(=O)(OCC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H56N3O8P/c1-8-42-45(41,43-9-2)31(39)28(22-25-18-14-11-15-19-25)35-29(37)26(20-23(3)4)34-30(38)27(21-24-16-12-10-13-17-24)36-32(40)44-33(5,6)7/h10,12-13,16-17,23,25-28,31,39H,8-9,11,14-15,18-22H2,1-7H3,(H,34,38)(H,35,37)(H,36,40)/t26-,27-,28-,31+/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluation of inhibitory activity of the compound against human renin.

J Med Chem 38: 4557-69 (1995)


BindingDB Entry DOI: 10.7270/Q27D2T5V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%