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SMILES: FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1

InChI Key: InChIKey=ZSOOJAUDBXFRSU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428781   

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))	BDBM50428781 (CHEMBL2333648) Show SMILES FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1 Show InChI InChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2	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))	BDBM50428781 (CHEMBL2333648) Show SMILES FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1 Show InChI InChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2	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))	BDBM50428781 (CHEMBL2333648) Show SMILES FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1 Show InChI InChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2	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	74	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