BDBM27047 4-cyclopropyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-2-yl)-3,3-dimethylbutan-2-yl]carbamoyl}amino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxo-N-(prop-2-en-1-yl)butanamide::bicyclic sultam derivative, 31

SMILES: CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C

InChI Key: InChIKey=XLQVSRIEEFXEHC-GONYQYDKSA-N

Data: 1 KI

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 = 27047   

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
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27047 (4-cyclopropyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(...) Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H56N6O7S/c1-10-17-39-33(47)30(45)25(18-22-15-16-22)40-32(46)29-28-24(38(28,8)9)20-44(29)34(48)31(37(5,6)7)42-35(49)41-27(36(2,3)4)21-43-19-23-13-11-12-14-26(23)52(43,50)51/h10-14,22,24-25,27-29,31H,1,15-21H2,2-9H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-11.3	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair