BDBM50124036 (S)-8-[(R)-3-(2-Methoxy-phenyl)-ureido]-8-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::CHEMBL354460

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C

InChI Key: InChIKey=GXBAHWKJQUCDRB-HGNWYHMCSA-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 = 50124036   

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)	BDBM50124036 ((S)-8-[(R)-3-(2-Methoxy-phenyl)-ureido]-8-methyl-4...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O6/c1-7-29(39-53-30-24-16-23(35(24,2)3)17-37(30,5)54-39)46-31(49)27-18-36(4,47-34(51)45-25-13-8-9-14-28(25)52-6)33-44-20-26(32(50)48(27)33)43-19-21-11-10-12-22(15-21)38(40,41)42/h8-15,20,23-24,27,29-30,43H,7,16-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t23?,24?,27-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	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
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