BDBM50110001 (S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Aminooxalyl-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propylcarbamoyl}-2-o-tolyl-ethylcarbamoyl)-4-[(S)-3-carboxy-2-(2-naphthalen-2-yl-acetylamino)-propionylamino]-butyric acid::CHEMBL435436

SMILES: CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc2ccccc2c1)C(C)(C)C)C(=O)C(N)=O

InChI Key: InChIKey=WHIQMSWIFDPUPB-RTGCVVNQSA-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 = 50110001   

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)	BDBM50110001 ((S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Aminooxalyl-pent...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc2ccccc2c1)C(C)(C)C)C(=O)C(N)=O Show InChI InChI=1S/C50H67N7O12/c1-8-9-18-34(42(63)44(51)64)53-46(66)36(23-28(2)3)56-49(69)43(50(5,6)7)57-48(68)37(26-32-16-11-10-14-29(32)4)55-45(65)35(21-22-40(59)60)54-47(67)38(27-41(61)62)52-39(58)25-30-19-20-31-15-12-13-17-33(31)24-30/h10-17,19-20,24,28,34-38,43H,8-9,18,21-23,25-27H2,1-7H3,(H2,51,64)(H,52,58)(H,53,66)(H,54,67)(H,55,65)(H,56,69)(H,57,68)(H,59,60)(H,61,62)/t34-,35-,36-,37-,38-,43+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 proteinase				Bioorg Med Chem Lett 12: 641-3 (2002) BindingDB Entry DOI: 10.7270/Q2SN089N
					More data for this Ligand-Target Pair