BDBM50313406 3-((4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol::CHEMBL1078690

SMILES: CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccc(O)c1

InChI Key: InChIKey=YIYVGHFJMGUWJT-YYWHXJBOSA-N

Data: 1 IC50

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 = 50313406   

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
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50313406 (3-((4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexah...) Show SMILES CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccc(O)c1 |r| Show InChI InChI=1S/C22H27NO2/c1-22(2,3)15-9-10-19-18(13-15)21-17(8-5-11-25-21)20(23-19)14-6-4-7-16(24)12-14/h4,6-7,9-10,12-13,17,20-21,23-24H,5,8,11H2,1-3H3/t17-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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