BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Monomerid = 50022865   
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))
BDBM50022865
PNG
(Boc-Phe-His-Leu-Val-Ile-His-OMe | CHEMBL321937)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C44H66N10O9/c1-11-27(6)36(41(59)51-34(42(60)62-10)20-30-22-46-24-48-30)54-40(58)35(26(4)5)53-39(57)31(17-25(2)3)49-38(56)33(19-29-21-45-23-47-29)50-37(55)32(18-28-15-13-12-14-16-28)52-43(61)63-44(7,8)9/h12-16,21-27,31-36H,11,17-20H2,1-10H3,(H,45,47)(H,46,48)(H,49,56)(H,50,55)(H,51,59)(H,52,61)(H,53,57)(H,54,58)/t27-,31-,32-,33-,34-,35-,36-/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 280n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair
Renin


(Mus musculus)
BDBM50022865
PNG
(Boc-Phe-His-Leu-Val-Ile-His-OMe | CHEMBL321937)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
Show InChI InChI=1S/C44H66N10O9/c1-11-27(6)36(41(59)51-34(42(60)62-10)20-30-22-46-24-48-30)54-40(58)35(26(4)5)53-39(57)31(17-25(2)3)49-38(56)33(19-29-21-45-23-47-29)50-37(55)32(18-28-15-13-12-14-16-28)52-43(61)63-44(7,8)9/h12-16,21-27,31-36H,11,17-20H2,1-10H3,(H,45,47)(H,46,48)(H,49,56)(H,50,55)(H,51,59)(H,52,61)(H,53,57)(H,54,58)/t27-,31-,32-,33-,34-,35-,36-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse renin


J Med Chem 31: 284-95 (1988)


Article DOI: 10.1021/jm00397a003
BindingDB Entry DOI: 10.7270/Q2S75FBX
More data for this
Ligand-Target Pair