BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022004'   
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


(Rattus norvegicus)		BDBM50022004
PNG
(Ac-His-Pro-Phe-His-Statine-Val-Phe-NH2 | CHEMBL276...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C50H68N12O9/c1-29(2)19-36(42(64)24-43(65)61-44(30(3)4)49(70)58-37(45(51)66)20-32-13-8-6-9-14-32)57-47(68)39(22-34-25-52-27-54-34)59-46(67)38(21-33-15-10-7-11-16-33)60-48(69)41-17-12-18-62(41)50(71)40(56-31(5)63)23-35-26-53-28-55-35/h6-11,13-16,25-30,36-42,44,64H,12,17-24H2,1-5H3,(H2,51,66)(H,52,54)(H,53,55)(H,56,63)(H,57,68)(H,58,70)(H,59,67)(H,60,69)(H,61,65)/t36-,37-,38-,39-,40-,41+,42-,44-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against rat plasma renin in vitro.

J Med Chem 31: 1679-86 (1988)


BindingDB Entry DOI: 10.7270/Q2NC61TR
More data for this
Ligand-Target Pair