BDBM50011345 CHEMBL160448::CHEMBL3143483::Phosphoric acid mono-{4-[2-(1-{[1-(2-hydroxy-1-isobutyl-5-methyl-4-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyl} ester

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCOP(O)(O)=O)C(C)C)C(=O)NCc1ccccn1

InChI Key: InChIKey=JNZVHVKLIVQYNX-UHFFFAOYSA-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 = 50011345   

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))	BDBM50011345 (CHEMBL3143483 | Phosphoric acid mono-{4-[2-(1-{[1-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCOP(O)(O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C49H74N9O11P/c1-8-33(6)44(48(64)52-29-35-18-12-13-21-51-35)56-45(61)37(32(4)5)27-42(59)38(24-31(2)3)54-47(63)41(26-36-28-50-30-53-36)57(7)49(65)39(25-34-16-10-9-11-17-34)55-46(62)40-19-14-22-58(40)43(60)20-15-23-69-70(66,67)68/h9-13,16-18,21,28,30-33,37-42,44,59H,8,14-15,19-20,22-27,29H2,1-7H3,(H,50,53)(H,52,64)(H,54,63)(H,55,62)(H,56,61)(H2,66,67,68)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Inhibition of human plasma renin.				J Med Chem 34: 633-42 (1991) BindingDB Entry DOI: 10.7270/Q2H70DSZ
					More data for this Ligand-Target Pair