BDBM50428538 CHEMBL2337490

SMILES: FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12

InChI Key: InChIKey=PKCRBWNXYKXDQR-APPZFPTMSA-N

Data: 6 KI  5 EC50

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 11 hits for monomerid = 50428538   

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 2C (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	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]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	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]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	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 [3H]-LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	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]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	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 [3H]-LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	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]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2C receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2B receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2C receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	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	n/a	n/a	63	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50428538 (CHEMBL2337490) Show SMILES FC(F)(F)c1cccc2[C@H]3CNC[C@@H]3NC(=O)c12 |r| Show InChI InChI=1S/C12H11F3N2O/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8/h1-3,7,9,16H,4-5H2,(H,17,18)/t7-,9+/m1/s1	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	n/a	n/a	10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair