null

SMILES: CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F

InChI Key: InChIKey=GYCNKTJLOQCTEA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428779   

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))	BDBM50428779 (CHEMBL2333617) Show SMILES CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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))	BDBM50428779 (CHEMBL2333617) Show SMILES CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3	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	8.40E+3	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))	BDBM50428779 (CHEMBL2333617) Show SMILES CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3	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	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] 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