BDBM50428748 CHEMBL2333615

SMILES: CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1

InChI Key: InChIKey=GRIDHXFOQBIQKT-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428748   

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))	BDBM50428748 (CHEMBL2333615) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1 Show InChI InChI=1S/C23H26F4N2O/c1-29-9-7-22(8-10-29,17-3-2-4-19(24)11-17)15-30-14-20-12-18(23(25,26)27)13-21(28-20)16-5-6-16/h2-4,11-13,16H,5-10,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50428748 (CHEMBL2333615) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1 Show InChI InChI=1S/C23H26F4N2O/c1-29-9-7-22(8-10-29,17-3-2-4-19(24)11-17)15-30-14-20-12-18(23(25,26)27)13-21(28-20)16-5-6-16/h2-4,11-13,16H,5-10,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50428748 (CHEMBL2333615) Show SMILES CN1CCC(COCc2cc(cc(n2)C2CC2)C(F)(F)F)(CC1)c1cccc(F)c1 Show InChI InChI=1S/C23H26F4N2O/c1-29-9-7-22(8-10-29,17-3-2-4-19(24)11-17)15-30-14-20-12-18(23(25,26)27)13-21(28-20)16-5-6-16/h2-4,11-13,16H,5-10,14-15H2,1H3	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	3.70	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