BDBM50023053 CHEMBL44075::{1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-difluoro-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=SWQYBCRXNWDNGY-RHIIWVEJSA-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 = 50023053   

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))	BDBM50023053 (CHEMBL44075 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C46H62F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-38,55H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	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