BDBM50366504 CHEMBL1790291

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)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=LNTHYFBRDWGWNY-YGQHUFLISA-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 = 50366504   

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)	BDBM50366504 (CHEMBL1790291) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)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/C27H43N5O11S/c1-5-14(4)22(31-23(38)15(11-20(36)37)28-18(33)8-9-19(34)35)25(40)30-21(13(2)3)26(41)32-10-6-7-17(32)24(39)29-16(12-44)27(42)43/h13-17,21-22,44H,5-12H2,1-4H3,(H,28,33)(H,29,39)(H,30,40)(H,31,38)(H,34,35)(H,36,37)(H,42,43)/t14-,15-,16-,17-,21-,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+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