BDBM50109998 (S)-N-[(S)-1-((S)-1-{(S)-1-[(S)-1-((S)-1-Aminooxalyl-pentylcarbamoyl)-3-methyl-butylcarbamoyl]-2,2-dimethyl-propylcarbamoyl}-2-o-tolyl-ethylcarbamoyl)-2-benzyloxy-ethyl]-3-(3-carboxy-propionylamino)-succinamic acid::CHEMBL347015

SMILES: CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O

InChI Key: InChIKey=ABIHLEYEGKUFDJ-UIRBXLFWSA-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 = 50109998   

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)	BDBM50109998 ((S)-N-[(S)-1-((S)-1-{(S)-1-[(S)-1-((S)-1-Aminooxal...) 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](COCc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O Show InChI InChI=1S/C47H67N7O13/c1-8-9-19-31(39(60)41(48)61)50-42(62)32(22-27(2)3)52-46(66)40(47(5,6)7)54-44(64)33(23-30-18-14-13-15-28(30)4)51-45(65)35(26-67-25-29-16-11-10-12-17-29)53-43(63)34(24-38(58)59)49-36(55)20-21-37(56)57/h10-18,27,31-35,40H,8-9,19-26H2,1-7H3,(H2,48,61)(H,49,55)(H,50,62)(H,51,65)(H,52,66)(H,53,63)(H,54,64)(H,56,57)(H,58,59)/t31-,32-,33-,34-,35-,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	29	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
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