BDBM50110145 (S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyclopentyl-acetylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid::CHEMBL320324

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O

InChI Key: InChIKey=VZXZQIBVXSJQPK-ZOBUZTSGSA-N

Data: 2 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 2 hits for monomerid = 50110145   

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)	BDBM50110145 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyc...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C23H37F2N3O7/c1-12(2)10-15(19(30)26-14(11-16(24)25)18(29)21(32)33)27-20(31)17(13-8-6-7-9-13)28-22(34)35-23(3,4)5/h12-17H,6-11H2,1-5H3,(H,26,30)(H,27,31)(H,28,34)(H,32,33)/t14-,15-,17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory concentration evaluated against NS3/4A protease.				Bioorg Med Chem Lett 12: 3325-8 (2002) BindingDB Entry DOI: 10.7270/Q29Z9478
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110145 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyc...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C23H37F2N3O7/c1-12(2)10-15(19(30)26-14(11-16(24)25)18(29)21(32)33)27-20(31)17(13-8-6-7-9-13)28-22(34)35-23(3,4)5/h12-17H,6-11H2,1-5H3,(H,26,30)(H,27,31)(H,28,34)(H,32,33)/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair