BDBM50185780 (4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluorophenyl)methanone::CHEMBL210230

SMILES: Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1

InChI Key: InChIKey=MYAIOSJLOIUJFU-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50185780   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human D2 receptor				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human IKr				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185780 ((4-(2,4-difluorophenethyl)piperidin-1-yl)(2-fluoro...) Show SMILES Fc1ccc(CCC2CCN(CC2)C(=O)c2ccccc2F)c(F)c1 Show InChI InChI=1S/C20H20F3NO/c21-16-8-7-15(19(23)13-16)6-5-14-9-11-24(12-10-14)20(25)17-3-1-2-4-18(17)22/h1-4,7-8,13-14H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
					More data for this Ligand-Target Pair