null

SMILES: CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F

InChI Key: InChIKey=CNYOMHXOSOLHBL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428792   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50428792 (CHEMBL2333620) Show SMILES CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C25H33F4N3O/c1-4-21(5-2)30-23-15-19(25(27,28)29)14-22(31-23)16-33-17-24(10-12-32(3)13-11-24)18-6-8-20(26)9-7-18/h6-9,14-15,21H,4-5,10-13,16-17H2,1-3H3,(H,30,31)	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	3	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50428792 (CHEMBL2333620) Show SMILES CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C25H33F4N3O/c1-4-21(5-2)30-23-15-19(25(27,28)29)14-22(31-23)16-33-17-24(10-12-32(3)13-11-24)18-6-8-20(26)9-7-18/h6-9,14-15,21H,4-5,10-13,16-17H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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))	BDBM50428792 (CHEMBL2333620) Show SMILES CCC(CC)Nc1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F Show InChI InChI=1S/C25H33F4N3O/c1-4-21(5-2)30-23-15-19(25(27,28)29)14-22(31-23)16-33-17-24(10-12-32(3)13-11-24)18-6-8-20(26)9-7-18/h6-9,14-15,21H,4-5,10-13,16-17H2,1-3H3,(H,30,31)	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	7.10E+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