BDBM50238753 CHEMBL4063893

SMILES: Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C

InChI Key: InChIKey=LJTWQWNBBQLSCX-CLRXKPRGSA-N

Data: 7 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 7 hits for monomerid = 50238753   

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))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	9.20	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	28	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	28	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	23	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	113	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2B receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	112	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2B receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/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	8.90	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2C-INI receptor isoform expressed in Flp-IN HEK293 cells assessed as induction of Gq-mediated calcium flux measured eve...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair