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59 molecules are shown

Compile data set for download or QSAR
Wt: 635.8
BDBM50023026
Wt: 601.8
BDBM50022358
Wt: 661.8
BDBM50022353
Wt: 701.9
BDBM50022370
Wt: 629.8
BDBM50022372
Wt: 669.9
BDBM50022356
Wt: 669.9
BDBM50022351
Wt: 633.7
BDBM50022377
Wt: 633.7
BDBM50022381
Wt: 643.8
BDBM50022382
Wt: 663.8
BDBM50022383
Wt: 691.8
BDBM50022379
Wt: 654.8
BDBM50022952
Wt: 571.7
BDBM50022605
<<  First   |  Previous   |  Displayed 46 to 59 (of 59 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50023026,50022358,50022353,50022370,50022372,50022356,50022351,50022377,50022381,50022382,50022383,50022379,50022952,50022605   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50022605
PNG
(CHEMBL3348535 | CHEMBL420009 | {1-[1-(2-Hydroxy-1-...)
Show SMILES CC(C)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O5/c1-20(2)13-14-27(37)24(15-21(3)4)34-29(39)26(17-23-18-32-19-33-23)35-28(38)25(16-22-11-9-8-10-12-22)36-30(40)41-31(5,6)7/h8-12,18-21,24-27,37H,13-17H2,1-7H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023026
PNG
(CHEMBL288412 | CHEMBL3144107 | {1-[1-{1-[1-Hydroxy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)CC(C)C
Show InChI InChI=1S/C31H49N5O7S/c1-20(2)13-24(27(37)18-44(41,42)17-21(3)4)34-29(39)26(15-23-16-32-19-33-23)35-28(38)25(14-22-11-9-8-10-12-22)36-30(40)43-31(5,6)7/h8-12,16,19-21,24-27,37H,13-15,17-18H2,1-7H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25+,26+,27-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human renal renin at the pH optimum 7.4


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022351
PNG
(CHEMBL304392 | CHEMBL3142223 | {1-[1-(1-Cyclohexyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CSC1CCCCC1
Show InChI InChI=1S/C36H55N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30-,31-,32+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022353
PNG
(CHEMBL3142231 | CHEMBL66934 | {1-[1-[1-Cyclohexylm...)
Show SMILES CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H51N5O7S/c1-22(2)46(43,44)20-29(39)26(16-23-12-8-6-9-13-23)36-31(41)28(18-25-19-34-21-35-25)37-30(40)27(17-24-14-10-7-11-15-24)38-32(42)45-33(3,4)5/h7,10-11,14-15,19,21-23,26-29,39H,6,8-9,12-13,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022356
PNG
(CHEMBL309127 | CHEMBL63482 | {1-[1-(1-Cyclohexylme...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C36H55N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022358
PNG
(CHEMBL3142234 | CHEMBL67107 | {1-[1-(1-Cyclohexylm...)
Show SMILES CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H47N5O5S/c1-31(2,3)41-30(40)36-25(16-22-13-9-6-10-14-22)28(38)35-26(17-23-18-32-20-33-23)29(39)34-24(27(37)19-42-4)15-21-11-7-5-8-12-21/h6,9-10,13-14,18,20-21,24-27,37H,5,7-8,11-12,15-17,19H2,1-4H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022952
PNG
(CHEMBL262957 | CHEMBL3143440 | {1-[1-[1-Cyclohexyl...)
Show SMILES CC(C)CCNCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H58N6O5/c1-25(2)16-18-37-19-17-32(43)29(20-26-12-8-6-9-13-26)40-34(45)31(22-28-23-38-24-39-28)41-33(44)30(21-27-14-10-7-11-15-27)42-35(46)47-36(3,4)5/h7,10-11,14-15,23-26,29-32,37,43H,6,8-9,12-13,16-22H2,1-5H3,(H,38,39)(H,40,45)(H,41,44)(H,42,46)/t29-,30-,31-,32-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 30: 1224-8 (1987)


Article DOI: 10.1021/jm00390a018
BindingDB Entry DOI: 10.7270/Q2X63NJ7
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022372
PNG
(CHEMBL357302 | CHEMBL65948 | {1-[1-(1-Cyclohexylme...)
Show SMILES CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H51N5O5S/c1-22(2)44-20-29(39)26(16-23-12-8-6-9-13-23)36-31(41)28(18-25-19-34-21-35-25)37-30(40)27(17-24-14-10-7-11-15-24)38-32(42)43-33(3,4)5/h7,10-11,14-15,19,21-23,26-29,39H,6,8-9,12-13,16-18,20H2,1-5H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022377
PNG
(CHEMBL303710 | CHEMBL3142224 | {1-[1-(1-Cyclohexyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(C)(=O)=O
Show InChI InChI=1S/C31H47N5O7S/c1-31(2,3)43-30(40)36-25(16-22-13-9-6-10-14-22)28(38)35-26(17-23-18-32-20-33-23)29(39)34-24(27(37)19-44(4,41)42)15-21-11-7-5-8-12-21/h6,9-10,13-14,18,20-21,24-27,37H,5,7-8,11-12,15-17,19H2,1-4H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022379
PNG
(CHEMBL3142221 | CHEMBL69634 | [1-[1-[1-Cyclohexylm...)
Show SMILES COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CS(=O)(=O)C(C)C)cc1
Show InChI InChI=1S/C34H53N5O8S/c1-22(2)48(44,45)20-30(40)27(16-23-10-8-7-9-11-23)37-32(42)29(18-25-19-35-21-36-25)38-31(41)28(39-33(43)47-34(3,4)5)17-24-12-14-26(46-6)15-13-24/h12-15,19,21-23,27-30,40H,7-11,16-18,20H2,1-6H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022381
PNG
(CHEMBL3142207 | CHEMBL66213 | {1-[1-[1-Cyclohexylm...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C31H47N5O7S/c1-4-43-31(40)36-26(16-23-13-9-6-10-14-23)29(38)35-27(17-24-18-32-20-33-24)30(39)34-25(15-22-11-7-5-8-12-22)28(37)19-44(41,42)21(2)3/h6,9-10,13-14,18,20-22,25-28,37H,4-5,7-8,11-12,15-17,19H2,1-3H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t25-,26-,27-,28-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022382
PNG
(CHEMBL3142219 | CHEMBL431771 | {1-[1-(1-Cyclohexyl...)
Show SMILES CC(C)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O5S/c1-23(2)20-45-21-30(40)27(16-24-12-8-6-9-13-24)37-32(42)29(18-26-19-35-22-36-26)38-31(41)28(17-25-14-10-7-11-15-25)39-33(43)44-34(3,4)5/h7,10-11,14-15,19,22-24,27-30,40H,6,8-9,12-13,16-18,20-21H2,1-5H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022383
PNG
(CHEMBL3142208 | CHEMBL63248 | {1-[1-(1-Benzyl-3-cy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C36H49N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h4-5,7-10,13-16,22,24,28-32,42H,6,11-12,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022370
PNG
(CHEMBL3142232 | CHEMBL66562 | {1-[1-(3-Cyclohexane...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C36H55N5O7S/c1-36(2,3)48-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-49(46,47)28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair