null

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

InChI Key: InChIKey=ZXJAVJMFMHDNOW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428752   

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))	BDBM50428752 (CHEMBL2333611) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C2CC2)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN2O/c1-28-12-10-25(11-13-28,21-6-8-22(26)9-7-21)17-29-16-23-14-20(18-2-3-18)15-24(27-23)19-4-5-19/h6-9,14-15,18-19H,2-5,10-13,16-17H2,1H3	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))	BDBM50428752 (CHEMBL2333611) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C2CC2)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN2O/c1-28-12-10-25(11-13-28,21-6-8-22(26)9-7-21)17-29-16-23-14-20(18-2-3-18)15-24(27-23)19-4-5-19/h6-9,14-15,18-19H,2-5,10-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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))	BDBM50428752 (CHEMBL2333611) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C2CC2)(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C25H31FN2O/c1-28-12-10-25(11-13-28,21-6-8-22(26)9-7-21)17-29-16-23-14-20(18-2-3-18)15-24(27-23)19-4-5-19/h6-9,14-15,18-19H,2-5,10-13,16-17H2,1H3	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	1.80	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