BDBM50124063 2-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-benzylamino)-6-[(R)-1-((S)-6,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-propylcarbamoyl]-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-8-yl}-ureido)-benzoic acid ethyl ester::CHEMBL165275

SMILES: CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2OC3C4CC(C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(c1)C(F)(F)F)c2=O

InChI Key: InChIKey=RMCQCTDXSJPGBW-RUHDASNWSA-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 = 50124063   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50124063 (2-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2OC3C4CC(C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(c1)C(F)(F)F)c2=O Show InChI InChI=1S/C40H48BF3N6O7/c1-7-30(41-56-31-26-17-24(37(26,3)4)18-39(31,6)57-41)48-32(51)29-19-38(5,49-36(54)47-27-15-10-9-14-25(27)34(53)55-8-2)35-46-21-28(33(52)50(29)35)45-20-22-12-11-13-23(16-22)40(42,43)44/h9-16,21,24,26,29-31,45H,7-8,17-20H2,1-6H3,(H,48,51)(H2,47,49,54)/t24?,26?,29-,30-,31?,38+,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair