BDBM12268 1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-dimethyl-2(S)-[[[1-[2-[[2-oxo-2-[(2-thienylmethyl)amino]ethyl]amino]-1,2-dioxoethyl]butyl]amino]carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamates::SCH 503034 Analogue 27::tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-{[1-oxo-1-({[(thiophen-2-ylmethyl)carbamoyl]methyl}carbamoyl)pentan-2-yl]carbamoyl}-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

SMILES: CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1cccs1

InChI Key: InChIKey=XHJKCFKNHZQLKU-BOWAHEBCSA-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 = 12268   

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))	BDBM12268 (1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1cccs1 |r| Show InChI InChI=1S/C34H51N5O7S/c1-7-12-23(28(41)30(43)36-18-24(40)35-17-21-15-11-16-47-21)37-29(42)27-25-22(34(25,5)6)19-39(27)31(44)26(20-13-9-8-10-14-20)38-32(45)46-33(2,3)4/h11,15-16,20,22-23,25-27H,7-10,12-14,17-19H2,1-6H3,(H,35,40)(H,36,43)(H,37,42)(H,38,45)/t22-,23?,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	-10.0	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...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair