BindingDB logo
myBDB logout

BDBM50289722 1-Acetyl-1H-indole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-cyclohexylmethyl-2,4-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-amide::CHEMBL417199

SMILES: CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2n1C(C)=O

InChI Key: InChIKey=QBOFHWOYCVOEDL-NSIYGSDQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289722   
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))		BDBM50289722
PNG
(1-Acetyl-1H-indole-2-carboxylic acid [(S)-1-((1S,2...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2n1C(C)=O
Show InChI InChI=1S/C31H43N5O5/c1-19(2)28(38)16-29(39)24(13-21-9-5-4-6-10-21)34-30(40)25(15-23-17-32-18-33-23)35-31(41)27-14-22-11-7-8-12-26(22)36(27)20(3)37/h7-8,11-12,14,17-19,21,24-25,28-29,38-39H,4-6,9-10,13,15-16H2,1-3H3,(H,32,33)(H,34,40)(H,35,41)/t24-,25-,28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50

Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair