BDBM50238763 CHEMBL4091197

SMILES: Cl.COc1sccc1CNCC1CC1c1cc(F)ccc1OC

InChI Key: InChIKey=XYHLYANRBAAHET-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50238763   

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))	BDBM50238763 (CHEMBL4091197) Show SMILES Cl.COc1sccc1CNCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C17H20FNO2S.ClH/c1-20-16-4-3-13(18)8-15(16)14-7-12(14)10-19-9-11-5-6-22-17(11)21-2;/h3-6,8,12,14,19H,7,9-10H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	468	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))	BDBM50238763 (CHEMBL4091197) Show SMILES Cl.COc1sccc1CNCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C17H20FNO2S.ClH/c1-20-16-4-3-13(18)8-15(16)14-7-12(14)10-19-9-11-5-6-22-17(11)21-2;/h3-6,8,12,14,19H,7,9-10H2,1-2H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	463	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))	BDBM50238763 (CHEMBL4091197) Show SMILES Cl.COc1sccc1CNCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C17H20FNO2S.ClH/c1-20-16-4-3-13(18)8-15(16)14-7-12(14)10-19-9-11-5-6-22-17(11)21-2;/h3-6,8,12,14,19H,7,9-10H2,1-2H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	550	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238763 (CHEMBL4091197) Show SMILES Cl.COc1sccc1CNCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C17H20FNO2S.ClH/c1-20-16-4-3-13(18)8-15(16)14-7-12(14)10-19-9-11-5-6-22-17(11)21-2;/h3-6,8,12,14,19H,7,9-10H2,1-2H3;1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	556	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