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BDBM50313424 (4aS,5S,10bS)-9-tert-butyl-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline::CHEMBL1077190

SMILES: CC(C)(C)c1ccc2N[C@@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1

InChI Key: InChIKey=QGZKHGLNCVRRIJ-FCVCNSLRNA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313424   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50313424
PNG
((4aS,5S,10bS)-9-tert-butyl-5-cyclohexyl-3,4,4a,5,6...)
Show SMILES CC(C)(C)c1ccc2N[C@@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1
Show InChI InChI=1/C22H33NO/c1-22(2,3)16-11-12-19-18(14-16)21-17(10-7-13-24-21)20(23-19)15-8-5-4-6-9-15/h11-12,14-15,17,20-21,23H,4-10,13H2,1-3H3/t17-,20-,21-/s2
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of human recombinant EG5 assessed as ATP hydrolysis by pyruvate kinase-lactate dehydrogenase coupled assay


Bioorg Med Chem Lett 20: 1491-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.110
BindingDB Entry DOI: 10.7270/Q2KD1ZWN
More data for this
Ligand-Target Pair