BDBM50087572 (S)-4-((S)-1-{(S)-1-[(R)-2-(1-Allylaminooxalyl-but-3-enylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propylcarbamoyl)-4-((S)-2-amino-3-carboxy-propionylamino)-butyric acid::CHEMBL435655

SMILES: CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)NC(CC=C)C(=O)C(=O)NCC=C

InChI Key: InChIKey=ZFMPOBGEFFLINV-DYQGTMFBSA-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 = 50087572   

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)	BDBM50087572 ((S)-4-((S)-1-{(S)-1-[(R)-2-(1-Allylaminooxalyl-but...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)NC(CC=C)C(=O)C(=O)NCC=C Show InChI InChI=1S/C33H51N7O11/c1-7-10-20(27(45)32(50)35-14-8-2)36-30(48)22-11-9-15-40(22)33(51)26(18(5)6)39-31(49)25(17(3)4)38-29(47)21(12-13-23(41)42)37-28(46)19(34)16-24(43)44/h7-8,17-22,25-26H,1-2,9-16,34H2,3-6H3,(H,35,50)(H,36,48)(H,37,46)(H,38,47)(H,39,49)(H,41,42)(H,43,44)/t19-,20?,21-,22+,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	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