BDBM12313 (1R,5S)-3-[2(S)-[[[(1,1-dimethylethyl)methylamino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide::3-{[(1R,2S,5S)-3-[(2S)-2-{[tert-butyl(methyl)carbamoyl]amino}-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide::SCH 503034 Analogue 72

SMILES: CN(C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=MXQJWXDHKUABDI-QWYSVXDISA-N

Data: 1 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 12313   

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))	BDBM12313 ((1R,5S)-3-[2(S)-[[[(1,1-dimethylethyl)methylamino]...) Show SMILES CN(C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C28H47N5O5/c1-26(2,3)21(31-25(38)32(9)27(4,5)6)24(37)33-14-16-18(28(16,7)8)19(33)23(36)30-17(20(34)22(29)35)13-15-11-10-12-15/h15-19,21H,10-14H2,1-9H3,(H2,29,35)(H,30,36)(H,31,38)/t16-,17?,18-,19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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