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21 similar compounds to monomer 50002993

Compile data set for download or QSAR
Wt: 735.9
BDBM50004397
Wt: 645.8
BDBM50004407
Wt: 692.9
BDBM50002968
Wt: 678.8
BDBM50002978
Wt: 667.8
BDBM50006433
Wt: 703.8
BDBM50006420
Wt: 669.9
BDBM50006422
Wt: 664.8
BDBM50006425
Wt: 679.8
BDBM50006427
Wt: 643.8
BDBM50022869
Wt: 589.7
BDBM50022870
Wt: 681.9
BDBM50022877
Wt: 615.8
BDBM50022879
Wt: 629.8
BDBM50022883
Wt: 589.7
BDBM50023047
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50004397,50004407,50002968,50002978,50006433,50006420,50006422,50006425,50006427,50022869,50022870,50022877,50022879,50022883,50023047   
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))
BDBM50002968
PNG
(CHEMBL117799 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCCSc1ccccn1
Show InChI InChI=1S/C37H52N6O5S/c1-37(2,3)48-36(47)43-30(22-27-15-8-5-9-16-27)34(45)42-31(23-28-24-38-25-40-28)35(46)41-29(21-26-13-6-4-7-14-26)32(44)17-12-20-49-33-18-10-11-19-39-33/h5,8-11,15-16,18-19,24-26,29-32,44H,4,6-7,12-14,17,20-23H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)(H,43,47)/t29?,30-,31-,32?/m0/s1
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n/an/a 310n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023047
PNG
(CHEMBL295303 | CHEMBL3144118 | {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)CSC(C)C
Show InChI InChI=1S/C30H47N5O5S/c1-19(2)13-23(26(36)17-41-20(3)4)33-28(38)25(15-22-16-31-18-32-22)34-27(37)24(14-21-11-9-8-10-12-21)35-29(39)40-30(5,6)7/h8-12,16,18-20,23-26,36H,13-15,17H2,1-7H3,(H,31,32)(H,33,38)(H,34,37)(H,35,39)/t23-,24?,25?,26-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at the pH optimum 6.0.


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))
BDBM50004397
PNG
(CHEMBL330538 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCc1ccncc1
Show InChI InChI=1S/C38H53N7O6S/c1-38(2,3)51-37(50)45-31(19-27-12-8-5-9-13-27)35(48)44-32(20-29-22-40-25-42-29)36(49)43-30(18-26-10-6-4-7-11-26)33(46)23-52-24-34(47)41-21-28-14-16-39-17-15-28/h5,8-9,12-17,22,25-26,30-33,46H,4,6-7,10-11,18-21,23-24H2,1-3H3,(H,40,42)(H,41,47)(H,43,49)(H,44,48)(H,45,50)/t30-,31-,32-,33-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50004407
PNG
(CHEMBL319378 | {3-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(O)=O
Show InChI InChI=1S/C32H47N5O7S/c1-32(2,3)44-31(43)37-25(15-22-12-8-5-9-13-22)29(41)36-26(16-23-17-33-20-34-23)30(42)35-24(14-21-10-6-4-7-11-21)27(38)18-45-19-28(39)40/h5,8-9,12-13,17,20-21,24-27,38H,4,6-7,10-11,14-16,18-19H2,1-3H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)(H,39,40)/t24-,25-,26-,27-/m0/s1
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n/an/a 904n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006420
PNG
(CHEMBL63826 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ncc2ccccn12
Show InChI InChI=1S/C37H49N7O5S/c1-37(2,3)49-36(48)43-30(19-26-14-8-5-9-15-26)33(46)42-31(20-27-21-38-24-40-27)34(47)41-29(18-25-12-6-4-7-13-25)32(45)23-50-35-39-22-28-16-10-11-17-44(28)35/h5,8-11,14-17,21-22,24-25,29-32,45H,4,6-7,12-13,18-20,23H2,1-3H3,(H,38,40)(H,41,47)(H,42,46)(H,43,48)/t29-,30-,31-,32-/m0/s1
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n/an/a 708n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006422
PNG
(CHEMBL309127 | {1-[1-(1-Cyclohexylmethyl-3-cyclohe...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)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 289n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006425
PNG
(CHEMBL303322 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1
Show InChI InChI=1S/C35H48N6O5S/c1-35(2,3)46-34(45)41-28(19-25-14-8-5-9-15-25)32(43)40-29(20-26-21-36-23-38-26)33(44)39-27(18-24-12-6-4-7-13-24)30(42)22-47-31-16-10-11-17-37-31/h5,8-11,14-17,21,23-24,27-30,42H,4,6-7,12-13,18-20,22H2,1-3H3,(H,36,38)(H,39,44)(H,40,43)(H,41,45)/t27-,28-,29-,30-/m0/s1
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n/an/a 198n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006427
PNG
(CHEMBL68229 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cc1ccnc(SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C35H49N7O5S/c1-23-15-16-37-33(39-23)48-21-30(43)27(17-24-11-7-5-8-12-24)40-32(45)29(19-26-20-36-22-38-26)41-31(44)28(18-25-13-9-6-10-14-25)42-34(46)47-35(2,3)4/h6,9-10,13-16,20,22,24,27-30,43H,5,7-8,11-12,17-19,21H2,1-4H3,(H,36,38)(H,40,45)(H,41,44)(H,42,46)/t27-,28-,29-,30-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50006433
PNG
(CHEMBL406475 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES Cn1ccnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H49N7O5S/c1-34(2,3)46-33(45)40-27(18-24-13-9-6-10-14-24)30(43)39-28(19-25-20-35-22-37-25)31(44)38-26(17-23-11-7-5-8-12-23)29(42)21-47-32-36-15-16-41(32)4/h6,9-10,13-16,20,22-23,26-29,42H,5,7-8,11-12,17-19,21H2,1-4H3,(H,35,37)(H,38,44)(H,39,43)(H,40,45)/t26-,27-,28-,29-/m0/s1
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n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022869
PNG
(1N-[1-[1-(2-cyclohexylethyl)-2-hydroxy-3-isopropyl...)
Show SMILES CC(C)SC[C@H](O)[C@H](CCC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O5S/c1-23(2)45-21-30(40)27(17-16-24-12-8-6-9-13-24)37-32(42)29(19-26-20-35-22-36-26)38-31(41)28(18-25-14-10-7-11-15-25)39-33(43)44-34(3,4)5/h7,10-11,14-15,20,22-24,27-30,40H,6,8-9,12-13,16-19,21H2,1-5H3,(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 1.50E+3n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022870
PNG
(1N-[1-[1-[1-hydroxy-2-isopropylsulfanyl-(1R)-ethyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C
Show InChI InChI=1S/C30H47N5O5S/c1-19(2)13-23(26(36)17-41-20(3)4)33-28(38)25(15-22-16-31-18-32-22)34-27(37)24(14-21-11-9-8-10-12-21)35-29(39)40-30(5,6)7/h8-12,16,18-20,23-26,36H,13-15,17H2,1-7H3,(H,31,32)(H,33,38)(H,34,37)(H,35,39)/t23-,24-,25-,26-/m0/s1
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n/an/a 81n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022877
PNG
(1N-[1-[1-(1-adamantylmethyl)-2-hydroxy-3-isopropyl...)
Show SMILES CC(C)SC[C@H](O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H55N5O5S/c1-23(2)48-21-32(43)31(19-37-16-25-11-26(17-37)13-27(12-25)18-37)41-34(45)30(15-28-20-38-22-39-28)40-33(44)29(14-24-9-7-6-8-10-24)42-35(46)47-36(3,4)5/h6-10,20,22-23,25-27,29-32,43H,11-19,21H2,1-5H3,(H,38,39)(H,40,44)(H,41,45)(H,42,46)/t25?,26?,27?,29-,30-,31-,32-,37?/m0/s1
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n/an/a 2.50E+3n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022879
PNG
(1N-[1-[1-cyclohexyl-2-hydroxy-3-isopropylsulfanyl-...)
Show SMILES CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C32H49N5O5S/c1-21(2)43-19-27(38)28(23-14-10-7-11-15-23)37-30(40)26(17-24-18-33-20-34-24)35-29(39)25(16-22-12-8-6-9-13-22)36-31(41)42-32(3,4)5/h6,8-9,12-13,18,20-21,23,25-28,38H,7,10-11,14-17,19H2,1-5H3,(H,33,34)(H,35,39)(H,36,41)(H,37,40)/t25-,26-,27-,28-/m0/s1
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n/an/a 150n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022883
PNG
(1N-[1-[1-cyclohexylmethyl-2-hydroxy-3-isopropylsul...)
Show SMILES CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)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/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50002978
PNG
(CHEMBL119893 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCSc1ccccn1
Show InChI InChI=1S/C36H50N6O5S/c1-36(2,3)47-35(46)42-29(21-26-14-8-5-9-15-26)33(44)41-30(22-27-23-37-24-39-27)34(45)40-28(20-25-12-6-4-7-13-25)31(43)17-19-48-32-16-10-11-18-38-32/h5,8-11,14-16,18,23-25,28-31,43H,4,6-7,12-13,17,19-22H2,1-3H3,(H,37,39)(H,40,45)(H,41,44)(H,42,46)/t28?,29-,30-,31?/m0/s1
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Article
PubMed
n/an/a 130n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair