BDBM50220581 7-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one::CHEMBL246635

SMILES: CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1

InChI Key: InChIKey=KMTMWUFYNBUHOB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50220581   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50220581 (7-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-...) Show SMILES CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0| Show InChI InChI=1S/C22H25FN2O4/c1-14(21(27)15-2-7-18-19(12-15)29-13-20(26)24-18)25-10-8-22(28,9-11-25)16-3-5-17(23)6-4-16/h2-7,12,14,21,27-28H,8-11,13H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]bufuralol from CYP2D6				Bioorg Med Chem Lett 17: 5558-62 (2007) Article DOI: 10.1016/j.bmcl.2007.08.014 BindingDB Entry DOI: 10.7270/Q2R21138
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220581 (7-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-...) Show SMILES CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0| Show InChI InChI=1S/C22H25FN2O4/c1-14(21(27)15-2-7-18-19(12-15)29-13-20(26)24-18)25-10-8-22(28,9-11-25)16-3-5-17(23)6-4-16/h2-7,12,14,21,27-28H,8-11,13H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells				Bioorg Med Chem Lett 17: 5558-62 (2007) Article DOI: 10.1016/j.bmcl.2007.08.014 BindingDB Entry DOI: 10.7270/Q2R21138
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50220581 (7-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-...) Show SMILES CC(C(O)c1ccc2NC(=O)COc2c1)N1CCC(O)(CC1)c1ccc(F)cc1 |w:2.2,1.0| Show InChI InChI=1S/C22H25FN2O4/c1-14(21(27)15-2-7-18-19(12-15)29-13-20(26)24-18)25-10-8-22(28,9-11-25)16-3-5-17(23)6-4-16/h2-7,12,14,21,27-28H,8-11,13H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane				Bioorg Med Chem Lett 17: 5558-62 (2007) Article DOI: 10.1016/j.bmcl.2007.08.014 BindingDB Entry DOI: 10.7270/Q2R21138
					More data for this Ligand-Target Pair