BDBM50220962 1-[(3R,3aR)-8-fluoro-3-phenyl-3-(3-piperazin-1-yl-propyl)-3a,4-dihydro-3H-5-oxa-1,9b-diaza-cyclopenta[a]naphthalen-2-yl]-ethanone::CHEMBL401476

SMILES: CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1

InChI Key: InChIKey=MBPICXUBVCOQJO-UKILVPOCSA-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 = 50220962   

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))	BDBM50220962 (1-[(3R,3aR)-8-fluoro-3-phenyl-3-(3-piperazin-1-yl-...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1 |t:3| Show InChI InChI=1S/C25H29FN4O2/c1-18(31)24-25(19-6-3-2-4-7-19,10-5-13-29-14-11-27-12-15-29)23-17-32-22-9-8-20(26)16-21(22)30(23)28-24/h2-4,6-9,16,23,27H,5,10-15,17H2,1H3/t23-,25+/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	4.30	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)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220962 (1-[(3R,3aR)-8-fluoro-3-phenyl-3-(3-piperazin-1-yl-...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1 |t:3| Show InChI InChI=1S/C25H29FN4O2/c1-18(31)24-25(19-6-3-2-4-7-19,10-5-13-29-14-11-27-12-15-29)23-17-32-22-9-8-20(26)16-21(22)30(23)28-24/h2-4,6-9,16,23,27H,5,10-15,17H2,1H3/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	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