null

SMILES: CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1

InChI Key: InChIKey=SIPOLHQPOKEDPH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428767   

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))	BDBM50428767 (CHEMBL2333630) Show SMILES CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H22F4N2O/c1-26-10-7-19(8-11-26,15-2-4-17(21)5-3-15)14-27-13-18-12-16(6-9-25-18)20(22,23)24/h2-6,9,12H,7-8,10-11,13-14H2,1H3	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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 23: 407-11 (2012) Article DOI: 10.1016/j.bmcl.2012.11.094 BindingDB Entry DOI: 10.7270/Q2S46TBT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50428767 (CHEMBL2333630) Show SMILES CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H22F4N2O/c1-26-10-7-19(8-11-26,15-2-4-17(21)5-3-15)14-27-13-18-12-16(6-9-25-18)20(22,23)24/h2-6,9,12H,7-8,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 23: 407-11 (2012) Article DOI: 10.1016/j.bmcl.2012.11.094 BindingDB Entry DOI: 10.7270/Q2S46TBT
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50428767 (CHEMBL2333630) Show SMILES CN1CCC(COCc2cc(ccn2)C(F)(F)F)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C20H22F4N2O/c1-26-10-7-19(8-11-26,15-2-4-17(21)5-3-15)14-27-13-18-12-16(6-9-25-18)20(22,23)24/h2-6,9,12H,7-8,10-11,13-14H2,1H3	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I] Substance P from human NK1 receptor expressed in human U373 cell membranes after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 23: 407-11 (2012) Article DOI: 10.1016/j.bmcl.2012.11.094 BindingDB Entry DOI: 10.7270/Q2S46TBT
					More data for this Ligand-Target Pair