BDBM50024213 2-(1-{1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-ethyl)-3-methyl-butylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester::CHEMBL3143429::CHEMBL357788

SMILES: CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(=O)NCc1ccccn1

InChI Key: InChIKey=BSHNYUJPQXDYKJ-JEKFBJOZSA-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 = 50024213   

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))	BDBM50024213 (2-(1-{1-[1-(1-Hydroxy-2-{2-methyl-1-[(pyridin-2-yl...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C49H69N7O8/c1-9-33(4)42(45(61)51-31-36-23-16-17-25-50-36)55-41(58)30-40(57)37(27-32(2)3)52-43(59)38(28-34-19-12-10-13-20-34)53-44(60)39(29-35-21-14-11-15-22-35)54-46(62)49(8)24-18-26-56(49)47(63)64-48(5,6)7/h10-17,19-23,25,32-33,37-40,42,57H,9,18,24,26-31H2,1-8H3,(H,51,61)(H,52,59)(H,53,60)(H,54,62)(H,55,58)/t33?,37?,38?,39?,40?,42?,49-/m0/s1	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	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against human plasma renin.				J Med Chem 30: 536-41 (1987) BindingDB Entry DOI: 10.7270/Q2V988PS
					More data for this Ligand-Target Pair