BindingDB logo
myBDB logout

25 similar compounds to monomer 50003176

Compile data set for download or QSAR
Wt: 715.8
BDBM50003165
Wt: 603.7
BDBM50003166
Wt: 702.8
BDBM50003171
Wt: 687.8
BDBM50003172
Wt: 673.8
BDBM50003173
Wt: 815.9
BDBM50003174
Wt: 659.8
BDBM50003177
Wt: 673.8
BDBM50003180
Wt: 822.1
BDBM50003181
Wt: 617.7
BDBM50003182
Wt: 702.8
BDBM50003183
Wt: 702.8
BDBM50003184
Wt: 716.8
BDBM50003185
Wt: 616.7
BDBM50003186
Wt: 616.7
BDBM50003187
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50003165,50003166,50003171,50003172,50003173,50003174,50003177,50003180,50003181,50003182,50003183,50003184,50003185,50003186,50003187   
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))
BDBM50003186
PNG
(CHEMBL327710 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H48N4O8/c1-32(2,3)44-31(42)36-25(20-22-13-8-5-9-14-22)29(40)34-23-15-16-26(37)33-17-10-18-43-30(41)27(38)24(35-28(23)39)19-21-11-6-4-7-12-21/h5,8-9,13-14,21,23-25,27,38H,4,6-7,10-12,15-20H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)(H,36,42)/t23-,24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003177
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C35H53N3O9/c1-22(2)18-25-16-17-29(39)45-21-28(32(42)36-26(30(40)33(43)46-25)19-23-12-8-6-9-13-23)37-31(41)27(20-24-14-10-7-11-15-24)38-34(44)47-35(3,4)5/h7,10-11,14-15,22-23,25-28,30,40H,6,8-9,12-13,16-21H2,1-5H3,(H,36,42)(H,37,41)(H,38,44)/t25?,26-,27?,28-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003171
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-10-diethyl...)
Show SMILES CCN(CC)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C37H58N4O9/c1-6-41(7-2)23-27-19-14-20-31(42)48-24-30(34(45)38-28(32(43)35(46)49-27)21-25-15-10-8-11-16-25)39-33(44)29(22-26-17-12-9-13-18-26)40-36(47)50-37(3,4)5/h9,12-13,17-18,25,27-30,32,43H,6-8,10-11,14-16,19-24H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003172
PNG
((diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-di...)
Show SMILES CC(C)(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C37H57N3O9/c1-36(2,3)22-26-18-13-19-30(41)47-23-29(33(44)38-27(31(42)34(45)48-26)20-24-14-9-7-10-15-24)39-32(43)28(21-25-16-11-8-12-17-25)40-35(46)49-37(4,5)6/h8,11-12,16-17,24,26-29,31,42H,7,9-10,13-15,18-23H2,1-6H3,(H,38,44)(H,39,43)(H,40,46)/t26?,27-,28?,29-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003185
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C37H56N4O10/c1-37(2,3)51-36(47)40-29(22-26-13-8-5-9-14-26)33(44)39-30-24-49-31(42)16-10-15-27(23-41-17-19-48-20-18-41)50-35(46)32(43)28(38-34(30)45)21-25-11-6-4-7-12-25/h5,8-9,13-14,25,27-30,32,43H,4,6-7,10-12,15-24H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003182
PNG
((diastereomer-1)[1-(8-Cyclohexylmethyl-7-hydroxy-6...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H47N3O9/c1-32(2,3)44-31(41)35-25(20-22-13-8-5-9-14-22)29(39)33-23-15-16-26(36)42-17-10-18-43-30(40)27(37)24(34-28(23)38)19-21-11-6-4-7-12-21/h5,8-9,13-14,21,23-25,27,37H,4,6-7,10-12,15-20H2,1-3H3,(H,33,39)(H,34,38)(H,35,41)/t23-,24-,25?,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003186
PNG
(CHEMBL327710 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H48N4O8/c1-32(2,3)44-31(42)36-25(20-22-13-8-5-9-14-22)29(40)34-23-15-16-26(37)33-17-10-18-43-30(41)27(38)24(35-28(23)39)19-21-11-6-4-7-12-21/h5,8-9,13-14,21,23-25,27,38H,4,6-7,10-12,15-20H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)(H,36,42)/t23-,24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003187
PNG
(CHEMBL92538 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,6...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H48N4O8/c1-32(2,3)44-31(42)36-24(19-22-14-8-5-9-15-22)28(39)35-25-20-33-26(37)16-10-11-17-43-30(41)27(38)23(34-29(25)40)18-21-12-6-4-7-13-21/h5,8-9,14-15,21,23-25,27,38H,4,6-7,10-13,16-20H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)(H,36,42)/t23-,24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003181
PNG
((diastereomer-1) (1-{6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H51Cl3N4O11/c1-35(2,3)54-34(50)43-26(18-23-13-8-5-9-14-23)30(46)42-27-20-51-28(44)16-10-15-24(19-40-33(49)52-21-36(37,38)39)53-32(48)29(45)25(41-31(27)47)17-22-11-6-4-7-12-22/h5,8-9,13-14,22,24-27,29,45H,4,6-7,10-12,15-21H2,1-3H3,(H,40,49)(H,41,47)(H,42,46)(H,43,50)/t24?,25-,26?,27-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003165
PNG
(1N-[1-[12-cyclohexylmethyl-11-hydroxy-8-(1,4-oxazi...)
Show SMILES CC(C)(N)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C37H57N5O9/c1-37(2,38)22-31(43)39-29(21-26-12-7-4-8-13-26)34(46)41-30-24-50-32(44)15-9-14-27(23-42-16-18-49-19-17-42)51-36(48)33(45)28(40-35(30)47)20-25-10-5-3-6-11-25/h4,7-8,12-13,25,27-30,33,45H,3,5-6,9-11,14-24,38H2,1-2H3,(H,39,43)(H,40,47)(H,41,46)/t27-,28+,29+,30+,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003166
PNG
((diastereomer-1)[1-(6-Cyclohexylmethyl-7-hydroxy-4...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C31H45N3O9/c1-31(2,3)43-30(40)34-23(18-21-13-8-5-9-14-21)27(37)33-24-19-42-25(35)15-10-16-41-29(39)26(36)22(32-28(24)38)17-20-11-6-4-7-12-20/h5,8-9,13-14,20,22-24,26,36H,4,6-7,10-12,15-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t22-,23?,24-,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003173
PNG
((diastereomer-1)[1-(10-Butyl-6-cyclohexylmethyl-7-...)
Show SMILES CCCCC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C36H55N3O9/c1-5-6-18-26-19-13-20-30(40)46-23-29(33(43)37-27(31(41)34(44)47-26)21-24-14-9-7-10-15-24)38-32(42)28(22-25-16-11-8-12-17-25)39-35(45)48-36(2,3)4/h8,11-12,16-17,24,26-29,31,41H,5-7,9-10,13-15,18-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,45)/t26?,27-,28?,29-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003174
PNG
(CHEMBL339289 | {2-[1-(6-Cyclohexylmethyl-7-hydroxy...)
Show SMILES CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C42H65N5O11/c1-41(2,3)58-40(54)46-42(4,5)25-34(48)43-32(24-29-15-10-7-11-16-29)37(51)45-33-27-56-35(49)18-12-17-30(26-47-19-21-55-22-20-47)57-39(53)36(50)31(44-38(33)52)23-28-13-8-6-9-14-28/h7,10-11,15-16,28,30-33,36,50H,6,8-9,12-14,17-27H2,1-5H3,(H,43,48)(H,44,52)(H,45,51)(H,46,54)/t30-,31+,32+,33+,36-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003187
PNG
(CHEMBL92538 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,6...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H48N4O8/c1-32(2,3)44-31(42)36-24(19-22-14-8-5-9-15-22)28(39)35-25-20-33-26(37)16-10-11-17-43-30(41)27(38)23(34-29(25)40)18-21-12-6-4-7-13-21/h5,8-9,14-15,21,23-25,27,38H,4,6-7,10-13,16-20H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)(H,36,42)/t23-,24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of renin


J Med Chem 54: 1961-2004 (2011)


Article DOI: 10.1021/jm1012374
BindingDB Entry DOI: 10.7270/Q28C9XDV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003183
PNG
((diastereomer-1)[1-(7-Cyclohexylmethyl-6-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H54N4O10/c1-36(2,3)50-35(46)39-29(21-25-12-8-5-9-13-25)33(44)37-27-14-15-30(41)48-23-26(22-40-16-18-47-19-17-40)49-34(45)31(42)28(38-32(27)43)20-24-10-6-4-7-11-24/h5,8-9,12-13,24,26-29,31,42H,4,6-7,10-11,14-23H2,1-3H3,(H,37,44)(H,38,43)(H,39,46)/t26?,27-,28-,29?,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003180
PNG
((diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-di...)
Show SMILES CC(C)(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C36H55N3O9/c1-35(2,3)21-25-17-18-29(40)46-22-28(32(43)37-26(30(41)33(44)47-25)19-23-13-9-7-10-14-23)38-31(42)27(20-24-15-11-8-12-16-24)39-34(45)48-36(4,5)6/h8,11-12,15-16,23,25-28,30,41H,7,9-10,13-14,17-22H2,1-6H3,(H,37,43)(H,38,42)(H,39,45)/t25?,26-,27?,28-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003184
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H54N4O10/c1-36(2,3)50-35(46)39-28(21-25-12-8-5-9-13-25)32(43)38-29-23-48-30(41)15-14-26(22-40-16-18-47-19-17-40)49-34(45)31(42)27(37-33(29)44)20-24-10-6-4-7-11-24/h5,8-9,12-13,24,26-29,31,42H,4,6-7,10-11,14-23H2,1-3H3,(H,37,44)(H,38,43)(H,39,46)/t26?,27-,28?,29-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40E+3n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003177
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C35H53N3O9/c1-22(2)18-25-16-17-29(39)45-21-28(32(42)36-26(30(40)33(43)46-25)19-23-12-8-6-9-13-23)37-31(41)27(20-24-14-10-7-11-15-24)38-34(44)47-35(3,4)5/h7,10-11,14-15,22-23,25-28,30,40H,6,8-9,12-13,16-21H2,1-5H3,(H,36,42)(H,37,41)(H,38,44)/t25?,26-,27?,28-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003181
PNG
((diastereomer-1) (1-{6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H51Cl3N4O11/c1-35(2,3)54-34(50)43-26(18-23-13-8-5-9-14-23)30(46)42-27-20-51-28(44)16-10-15-24(19-40-33(49)52-21-36(37,38)39)53-32(48)29(45)25(41-31(27)47)17-22-11-6-4-7-12-22/h5,8-9,13-14,22,24-27,29,45H,4,6-7,10-12,15-21H2,1-3H3,(H,40,49)(H,41,47)(H,42,46)(H,43,50)/t24?,25-,26?,27-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003171
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-10-diethyl...)
Show SMILES CCN(CC)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C37H58N4O9/c1-6-41(7-2)23-27-19-14-20-31(42)48-24-30(34(45)38-28(32(43)35(46)49-27)21-25-15-10-8-11-16-25)39-33(44)29(22-26-17-12-9-13-18-26)40-36(47)50-37(3,4)5/h9,12-13,17-18,25,27-30,32,43H,6-8,10-11,14-16,19-24H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003183
PNG
((diastereomer-1)[1-(7-Cyclohexylmethyl-6-hydroxy-3...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H54N4O10/c1-36(2,3)50-35(46)39-29(21-25-12-8-5-9-13-25)33(44)37-27-14-15-30(41)48-23-26(22-40-16-18-47-19-17-40)49-34(45)31(42)28(38-32(27)43)20-24-10-6-4-7-11-24/h5,8-9,12-13,24,26-29,31,42H,4,6-7,10-11,14-23H2,1-3H3,(H,37,44)(H,38,43)(H,39,46)/t26?,27-,28-,29?,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003173
PNG
((diastereomer-1)[1-(10-Butyl-6-cyclohexylmethyl-7-...)
Show SMILES CCCCC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C36H55N3O9/c1-5-6-18-26-19-13-20-30(40)46-23-29(33(43)37-27(31(41)34(44)47-26)21-24-14-9-7-10-15-24)38-32(42)28(22-25-16-11-8-12-17-25)39-35(45)48-36(2,3)4/h8,11-12,16-17,24,26-29,31,41H,5-7,9-10,13-15,18-23H2,1-4H3,(H,37,43)(H,38,42)(H,39,45)/t26?,27-,28?,29-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003180
PNG
((diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-di...)
Show SMILES CC(C)(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C36H55N3O9/c1-35(2,3)21-25-17-18-29(40)46-22-28(32(43)37-26(30(41)33(44)47-25)19-23-13-9-7-10-14-23)38-31(42)27(20-24-15-11-8-12-16-24)39-34(45)48-36(4,5)6/h8,11-12,15-16,23,25-28,30,41H,7,9-10,13-14,17-22H2,1-6H3,(H,37,43)(H,38,42)(H,39,45)/t25?,26-,27?,28-,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003172
PNG
((diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-di...)
Show SMILES CC(C)(C)CC1CCCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Show InChI InChI=1S/C37H57N3O9/c1-36(2,3)22-26-18-13-19-30(41)47-23-29(33(44)38-27(31(42)34(45)48-26)20-24-14-9-7-10-15-24)39-32(43)28(21-25-16-11-8-12-17-25)40-35(46)49-37(4,5)6/h8,11-12,16-17,24,26-29,31,42H,7,9-10,13-15,18-23H2,1-6H3,(H,38,44)(H,39,43)(H,40,46)/t26?,27-,28?,29-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003185
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C37H56N4O10/c1-37(2,3)51-36(47)40-29(22-26-13-8-5-9-14-26)33(44)39-30-24-49-31(42)16-10-15-27(23-41-17-19-48-20-18-41)50-35(46)32(43)28(38-34(30)45)21-25-11-6-4-7-12-25/h5,8-9,13-14,25,27-30,32,43H,4,6-7,10-12,15-24H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003184
PNG
((diastereomer-1) [1-(6-Cyclohexylmethyl-7-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC(CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H54N4O10/c1-36(2,3)50-35(46)39-28(21-25-12-8-5-9-13-25)32(43)38-29-23-48-30(41)15-14-26(22-40-16-18-47-19-17-40)49-34(45)31(42)27(37-33(29)44)20-24-10-6-4-7-11-24/h5,8-9,12-13,24,26-29,31,42H,4,6-7,10-11,14-23H2,1-3H3,(H,37,44)(H,38,43)(H,39,46)/t26?,27-,28?,29-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)


J Med Chem 35: 3755-73 (1992)


Article DOI: 10.1021/jm00099a004
BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50003187
PNG
(CHEMBL92538 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,6...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C32H48N4O8/c1-32(2,3)44-31(42)36-24(19-22-14-8-5-9-15-22)28(39)35-25-20-33-26(37)16-10-11-17-43-30(41)27(38)23(34-29(25)40)18-21-12-6-4-7-13-21/h5,8-9,14-15,21,23-25,27,38H,4,6-7,10-13,16-20H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)(H,36,42)/t23-,24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair