BDBM50110003 (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)-2-(3-carboxy-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-butyric acid::CHEMBL349586

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](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O

InChI Key: InChIKey=DUHWVSBGCNQTSL-WCJMBZEMSA-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 = 50110003   

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)	BDBM50110003 ((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](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O Show InChI InChI=1S/C49H68N8O12/c1-8-9-17-33(41(63)43(50)64)53-45(66)35(23-27(2)3)56-48(69)42(49(5,6)7)57-47(68)37(24-29-15-11-10-14-28(29)4)55-44(65)34(19-21-39(59)60)54-46(67)36(52-38(58)20-22-40(61)62)25-30-26-51-32-18-13-12-16-31(30)32/h10-16,18,26-27,33-37,42,51H,8-9,17,19-25H2,1-7H3,(H2,50,64)(H,52,58)(H,53,66)(H,54,67)(H,55,65)(H,56,69)(H,57,68)(H,59,60)(H,61,62)/t33-,34-,35-,36-,37-,42+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	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