BDBM97758 US8476225, 19

SMILES: CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CN(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=WARRSXBEUJLUSM-DPSVNRJGSA-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 = 97758   

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 [1027-1657] (Hepatitis C virus genotype 1a (isolate 1) (HCV))	BDBM97758 (US8476225, 19) Show SMILES CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CN(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H42ClN5O9S2/c1-5-19-16-31(19,28(40)35-47(42,43)22-14-15-22)34-26(38)24-17-36(48(44,45)23-12-10-20(32)11-13-23)18-37(24)27(39)25(30(2,3)4)33-29(41)46-21-8-6-7-9-21/h5,10-13,19,21-22,24-25H,1,6-9,14-18H2,2-4H3,(H,33,41)(H,34,38)(H,35,40)/t19-,24+,25-,31-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	37
Gilead Sciences, Inc. US Patent					Assay Description Inhibition assay using HCV protease.				US Patent US8476225 (2013) BindingDB Entry DOI: 10.7270/Q2M32TD9
					More data for this Ligand-Target Pair