BDBM50169407 4-Chloro-3-(2-{(S)-3-[(S)-3-cyclohexyl-2-((S)-3-methyl-2-{(S)-4-methyl-2-[((S)-oxo-pyrazin-2-yl-methyl)-amino]-pentanoylamino}-pentanoylamino)-1-oxo-propylamino]-2-oxo-pentanoylamino}-acetylsulfamoyl)-benzoic acid::CHEMBL361930

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(ccc1Cl)C(O)=O

InChI Key: InChIKey=UBMBUNYJDCTBCJ-GPKGDWGFSA-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 = 50169407   

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)	BDBM50169407 (4-Chloro-3-(2-{(S)-3-[(S)-3-cyclohexyl-2-((S)-3-me...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cc(ccc1Cl)C(O)=O Show InChI InChI=1S/C40H55ClN8O11S/c1-6-23(5)33(48-36(53)28(17-22(3)4)46-37(54)30-20-42-15-16-43-30)38(55)47-29(18-24-11-9-8-10-12-24)35(52)45-27(7-2)34(51)39(56)44-21-32(50)49-61(59,60)31-19-25(40(57)58)13-14-26(31)41/h13-16,19-20,22-24,27-29,33H,6-12,17-18,21H2,1-5H3,(H,44,56)(H,45,52)(H,46,54)(H,47,55)(H,48,53)(H,49,50)(H,57,58)/t23-,27-,28-,29-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease				Bioorg Med Chem Lett 15: 3487-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.003 BindingDB Entry DOI: 10.7270/Q2V12495
					More data for this Ligand-Target Pair