BDBM50330359 CHEMBL1276429::N-((2R,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxooctyl)-1-ethyl-1H-indole-3-carboxamide

SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](CNC(=O)c1cn(CC)c2ccccc12)C(C)C

InChI Key: InChIKey=QLOUXMPMBXOQRJ-YGDRIEADSA-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 = 50330359   

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))	BDBM50330359 (CHEMBL1276429 | N-((2R,4S,5S,7R)-4-amino-8-(butyla...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](CNC(=O)c1cn(CC)c2ccccc12)C(C)C |r| Show InChI InChI=1S/C27H44N4O3/c1-6-8-13-29-26(33)19(5)14-25(32)23(28)15-20(18(3)4)16-30-27(34)22-17-31(7-2)24-12-10-9-11-21(22)24/h9-12,17-20,23,25,32H,6-8,13-16,28H2,1-5H3,(H,29,33)(H,30,34)/t19-,20+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
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