BDBM50220961 1-[(3R,3aR)-8-fluoro-3-(3-hydroxy-propyl)-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-diaza-cyclopenta[a]naphthalen-2-yl]-ethanone::CHEMBL250743

SMILES: CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1

InChI Key: InChIKey=DVLXDPTZHLUZHB-PZJWPPBQSA-N

Data: 2 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 2 hits for monomerid = 50220961   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220961 (1-[(3R,3aR)-8-fluoro-3-(3-hydroxy-propyl)-3-phenyl...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1 |t:3| Show InChI InChI=1S/C21H21FN2O3/c1-14(26)20-21(10-5-11-25,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)24(19)23-20/h2-4,6-9,12,19,25H,5,10-11,13H2,1H3/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of hERG expressed in HEK cells				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
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50220961 (1-[(3R,3aR)-8-fluoro-3-(3-hydroxy-propyl)-3-phenyl...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1 |t:3| Show InChI InChI=1S/C21H21FN2O3/c1-14(26)20-21(10-5-11-25,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)24(19)23-20/h2-4,6-9,12,19,25H,5,10-11,13H2,1H3/t19-,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	5.20	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)