null

SMILES: CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1

InChI Key: InChIKey=DTQNTNJTPOGBBI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428751   

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))	BDBM50428751 (CHEMBL2333612) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3	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	1.70E+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))	BDBM50428751 (CHEMBL2333612) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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))	BDBM50428751 (CHEMBL2333612) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3	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	290	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