BDBM50289721 (S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(S)-1-((1S,2S,4S)-1-cyclohexylmethyl-2,4-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-amide::CHEMBL55833

SMILES: CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1

InChI Key: InChIKey=YYFIOZFPUHACEI-XLIKFSOKSA-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 = 50289721   

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))	BDBM50289721 ((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C30H45N5O4/c1-19(2)27(36)15-28(37)24(12-20-8-4-3-5-9-20)34-30(39)26(14-23-17-31-18-33-23)35-29(38)25-13-21-10-6-7-11-22(21)16-32-25/h6-7,10-11,17-20,24-28,32,36-37H,3-5,8-9,12-16H2,1-2H3,(H,31,33)(H,34,39)(H,35,38)/t24-,25-,26-,27-,28-/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	420	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