BDBM50087571 (S)-4-((S)-1-{(S)-1-[(R)-2-(1-Allyl-5-methyl-2,3-dioxo-hexylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propylcarbamoyl)-4-((S)-3-tert-butoxycarbonyl-2-tert-butoxycarbonylamino-propionylamino)-butyric acid tert-butyl ester::CHEMBL351266

SMILES: CC(C)CC(=O)C(=O)C(CC=C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C)C(C)C

InChI Key: InChIKey=XVNUJKHUHHVJOK-MRQALYMFSA-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 = 50087571   

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)	BDBM50087571 ((S)-4-((S)-1-{(S)-1-[(R)-2-(1-Allyl-5-methyl-2,3-d...) Show SMILES CC(C)CC(=O)C(=O)C(CC=C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C47H78N6O13/c1-17-19-29(38(57)33(54)24-26(2)3)48-41(60)32-20-18-23-53(32)43(62)37(28(6)7)52-42(61)36(27(4)5)51-39(58)30(21-22-34(55)64-45(8,9)10)49-40(59)31(25-35(56)65-46(11,12)13)50-44(63)66-47(14,15)16/h17,26-32,36-37H,1,18-25H2,2-16H3,(H,48,60)(H,49,59)(H,50,63)(H,51,58)(H,52,61)/t29?,30-,31-,32+,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition against hepatitis C virus protease NS3 activity				Bioorg Med Chem Lett 10: 711-3 (2000) BindingDB Entry DOI: 10.7270/Q2NK3D82
					More data for this Ligand-Target Pair