BDBM50289720 5-Chloro-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::CHEMBL432889

SMILES: CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=YUDDYUBULVKQHY-MNUOIFNESA-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 = 50289720   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50289720 (5-Chloro-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)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C29H40ClN5O4/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)34-29(39)25(13-21-15-31-16-32-21)35-28(38)24-12-19-11-20(30)8-9-22(19)33-24/h8-9,11-12,15-18,23,25-27,33,36-37H,3-7,10,13-14H2,1-2H3,(H,31,32)(H,34,39)(H,35,38)/t23-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/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