BDBM50366503 CHEMBL1790302

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O

InChI Key: InChIKey=CBUKLMANAVWKNJ-YSLRPICCSA-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 = 50366503   

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)	BDBM50366503 (CHEMBL1790302) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C39H62N10O17S/c1-6-18(4)31(37(63)47-30(17(2)3)38(64)49-11-7-8-24(49)36(62)46-23(16-67)39(65)66)48-35(61)22(13-29(56)57)45-34(60)21(12-28(54)55)44-26(51)15-41-32(58)19(5)42-33(59)20(9-10-27(52)53)43-25(50)14-40/h17-24,30-31,67H,6-16,40H2,1-5H3,(H,41,58)(H,42,59)(H,43,50)(H,44,51)(H,45,60)(H,46,62)(H,47,63)(H,48,61)(H,52,53)(H,54,55)(H,56,57)(H,65,66)/t18-,19-,20-,21-,22-,23-,24-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against NS3-4A pep protease				Bioorg Med Chem Lett 8: 1713-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z89CX4
					More data for this Ligand-Target Pair