null

SMILES: CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1

InChI Key: InChIKey=XBRNPBHKYYHMKE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428789   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50428789 (CHEMBL2333640) Show SMILES CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C20H22ClF3N2O/c1-26-9-7-19(8-10-26,15-5-3-2-4-6-15)14-27-13-17-11-16(20(22,23)24)12-18(21)25-17/h2-6,11-12H,7-10,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428789 (CHEMBL2333640) Show SMILES CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C20H22ClF3N2O/c1-26-9-7-19(8-10-26,15-5-3-2-4-6-15)14-27-13-17-11-16(20(22,23)24)12-18(21)25-17/h2-6,11-12H,7-10,13-14H2,1H3	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	2.50E+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
Substance-P receptor (Homo sapiens (Human))	BDBM50428789 (CHEMBL2333640) Show SMILES CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1 Show InChI InChI=1S/C20H22ClF3N2O/c1-26-9-7-19(8-10-26,15-5-3-2-4-6-15)14-27-13-17-11-16(20(22,23)24)12-18(21)25-17/h2-6,11-12H,7-10,13-14H2,1H3	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	12	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