BDBM50023055 2-Benzyl-5-{4-[2-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-3-phenyl-propionylamino]-2,2-difluoro-3-hydroxy-6-methyl-heptanoylamino}-7-methyl-oct-3-enoic acid methyl ester::CHEMBL43673

SMILES: COC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](CC(C)C)NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=XMYMUHOXTXIOOE-WIHMTQGUSA-N

Data: 1 KI

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 = 50023055   

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))	BDBM50023055 (2-Benzyl-5-{4-[2-(2-tert-butoxycarbonylamino-3-phe...) Show SMILES COC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](CC(C)C)NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C48H64F2N4O8/c1-31(2)26-37(25-24-36(44(58)61-8)28-33-18-12-9-13-19-33)51-45(59)48(49,50)41(55)38(27-32(3)4)52-42(56)39(29-34-20-14-10-15-21-34)53-43(57)40(30-35-22-16-11-17-23-35)54-46(60)62-47(5,6)7/h9-25,31-32,36-41,55H,26-30H2,1-8H3,(H,51,59)(H,52,56)(H,53,57)(H,54,60)/b25-24+/t36-,37+,38-,39-,40-,41+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human kidney renin				J Med Chem 30: 1617-22 (1987) BindingDB Entry DOI: 10.7270/Q2RB73KD
					More data for this Ligand-Target Pair