BDBM50366505 CHEMBL1790289

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)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=QCOVSQLAPAEAOJ-IVOIAEMASA-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 = 50366505   

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)	BDBM50366505 (CHEMBL1790289) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)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/C30H50N6O10S/c1-8-16(6)24(35-27(42)22(14(2)3)33-25(40)18(12-21(38)39)31-17(7)37)28(43)34-23(15(4)5)29(44)36-11-9-10-20(36)26(41)32-19(13-47)30(45)46/h14-16,18-20,22-24,47H,8-13H2,1-7H3,(H,31,37)(H,32,41)(H,33,40)(H,34,43)(H,35,42)(H,38,39)(H,45,46)/t16-,18-,19-,20-,22-,23-,24-/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