BDBM50070817 3-Acetylamino-N-[(S)-1-(1-{1-[2-(1-carboxy-2-mercapto-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butylcarbamoyl)-2-methyl-propyl]-succinamic acid::CHEMBL2369571

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)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=SSVIQQIGOWVERB-XWVCWXBLSA-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 = 50070817   

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)	BDBM50070817 (3-Acetylamino-N-[(S)-1-(1-{1-[2-(1-carboxy-2-merca...) 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)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/C31H52N6O10S/c1-9-16(4)23(35-28(44)24(31(6,7)8)36-25(41)18(13-21(39)40)32-17(5)38)27(43)34-22(15(2)3)29(45)37-12-10-11-20(37)26(42)33-19(14-48)30(46)47/h15-16,18-20,22-24,48H,9-14H2,1-8H3,(H,32,38)(H,33,42)(H,34,43)(H,35,44)(H,36,41)(H,39,40)(H,46,47)/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	2.00E+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