BDBM27064 2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-{2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl}-3,3-dimethylbutan-2-yl]carbamoyl}amino)-18,18-dimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxo-N-(prop-2-en-1-yl)acetamide::Macrocyclic Peptidomimetic, 32

SMILES: CC(C)(C)[C@@H](CN1C(=O)C2CCC(C2)C1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C

InChI Key: InChIKey=NVAQKDJVEXSQNF-UWUZKPJASA-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 = 27064   

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))	BDBM27064 (2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-{2,4-dioxo-3-a...) Show SMILES CC(C)(C)[C@@H](CN1C(=O)C2CCC(C2)C1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r,TLB:15:14:10.11:13,THB:8:7:10.11:13,5:6:10.11:13| Show InChI InChI=1S/C38H58N6O8/c1-7-16-39-32(47)30(45)25-13-11-9-8-10-12-17-52-21-26(35(50)43-19-24-28(38(24,5)6)29(43)31(46)40-25)41-36(51)42-27(37(2,3)4)20-44-33(48)22-14-15-23(18-22)34(44)49/h7,22-29H,1,8-21H2,2-6H3,(H,39,47)(H,40,46)(H2,41,42,51)/t22?,23?,24-,25-,26-,27+,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-11.8	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 52: 700-8 (2009) Article DOI: 10.1021/jm801201u BindingDB Entry DOI: 10.7270/Q2XK8CW3
					More data for this Ligand-Target Pair