BDBM50220965 1-((3R,3aR)-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-diaza-cyclopenta[a]naphthalen-2-yl)-ethanone::CHEMBL249883

SMILES: CC(=O)C1=NN2[C@@H](COc3ccccc23)[C@H]1c1ccccc1

InChI Key: InChIKey=PWLVXDLIYFIZBL-DOTOQJQBSA-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 = 50220965   

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))	BDBM50220965 (1-((3R,3aR)-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-di...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccccc23)[C@H]1c1ccccc1 |t:3| Show InChI InChI=1S/C18H16N2O2/c1-12(21)18-17(13-7-3-2-4-8-13)15-11-22-16-10-6-5-9-14(16)20(15)19-18/h2-10,15,17H,11H2,1H3/t15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)