BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003186'   
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))
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
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))
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
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