BDBM50313428 1-(2-(dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)urea::1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea::CHEMBL1077204::EMD-534085
SMILES: CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1
InChI Key: InChIKey=MARIUIDCPUZLKZ-FUKQBSRTSA-N
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 |
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Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50313428 (1-(2-(dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |