BDBM98165 US8486989, IA

SMILES: CCC[C@H](NC(=O)[C@@H]1[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=WTOCPJIQVVGQDH-VWVZMYSWSA-N

Data: 1 KI  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 = 98165   

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
Genome polyprotein (Hepatitis C virus (HCV))	BDBM98165 (US8486989, IA) Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r,c:12| Show InChI InChI=1S/C38H53N7O6/c1-5-9-26(31(46)36(50)41-24-14-15-24)42-35(49)30-28-23-13-12-22(18-23)25(28)20-45(30)37(51)32(38(2,3)4)44-34(48)29(21-10-7-6-8-11-21)43-33(47)27-19-39-16-17-40-27/h12-13,16-17,19,21-26,28-30,32H,5-11,14-15,18,20H2,1-4H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t22-,23+,25-,26+,28+,29+,30+,32-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	39	n/a	202	n/a	n/a	n/a	n/a	7.8	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Inhibition activity of HCV NS3-NS4A.				US Patent US8486989 (2013) BindingDB Entry DOI: 10.7270/Q2FB51K1
					More data for this Ligand-Target Pair