BDBM50124037 (S)-8-Methyl-8-[(2-nitro-phenylcarbamoyl)-methyl]-4-oxo-3-(3-trifluoromethyl-benzylamino)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid [(R)-1-((S)-6,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-propyl]-amide::CHEMBL167819

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+]([O-])=O)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C

InChI Key: InChIKey=BCYXTTGKMIDWAD-PWYIWRSVSA-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 = 50124037   

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)	BDBM50124037 ((S)-8-Methyl-8-[(2-nitro-phenylcarbamoyl)-methyl]-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+]([O-])=O)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H44BF3N6O7/c1-6-29(39-54-31-24-15-23(35(24,2)3)16-37(31,5)55-39)46-32(50)28-17-36(4,18-30(49)45-25-12-7-8-13-27(25)48(52)53)34-44-20-26(33(51)47(28)34)43-19-21-10-9-11-22(14-21)38(40,41)42/h7-14,20,23-24,28-29,31,43H,6,15-19H2,1-5H3,(H,45,49)(H,46,50)/t23?,24?,28-,29-,31?,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.53E+3	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