BDBM50238761 CHEMBL4095562

SMILES: Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1

InChI Key: InChIKey=NKPTUWGARNSUGX-YECZQDJWSA-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 = 50238761   

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))	BDBM50238761 (CHEMBL4095562) Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1 |r| Show InChI InChI=1S/C16H18FNOS.ClH/c1-19-16-5-4-12(17)8-15(16)14-7-11(14)9-18-10-13-3-2-6-20-13;/h2-6,8,11,14,18H,7,9-10H2,1H3;1H/t11-,14+;/m0./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	676	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))	BDBM50238761 (CHEMBL4095562) Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1 |r| Show InChI InChI=1S/C16H18FNOS.ClH/c1-19-16-5-4-12(17)8-15(16)14-7-11(14)9-18-10-13-3-2-6-20-13;/h2-6,8,11,14,18H,7,9-10H2,1H3;1H/t11-,14+;/m0./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	308	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 2A (Homo sapiens (Human))	BDBM50238761 (CHEMBL4095562) Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1 |r| Show InChI InChI=1S/C16H18FNOS.ClH/c1-19-16-5-4-12(17)8-15(16)14-7-11(14)9-18-10-13-3-2-6-20-13;/h2-6,8,11,14,18H,7,9-10H2,1H3;1H/t11-,14+;/m0./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	674	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))	BDBM50238761 (CHEMBL4095562) Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1 |r| Show InChI InChI=1S/C16H18FNOS.ClH/c1-19-16-5-4-12(17)8-15(16)14-7-11(14)9-18-10-13-3-2-6-20-13;/h2-6,8,11,14,18H,7,9-10H2,1H3;1H/t11-,14+;/m0./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	309	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