BDBM50076240 CHEMBL3416063

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

InChI Key: InChIKey=MNIAWGCBQVLINM-XQKZEKTMSA-N

Data: 7 KI  2 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 9 hits for monomerid = 50076240   

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 7 (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-2C receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	PDB UniProtKB/SwissProt 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	PDB UniProtKB/SwissProt 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-2A receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1	PDB UniProtKB/SwissProt 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha-2B receptor (unknown origin)				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/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	374	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 HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50076240 (CHEMBL3416063) Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/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	4.20	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5-HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 58: 1992-2002 (2015) Article DOI: 10.1021/jm5019274 BindingDB Entry DOI: 10.7270/Q2BC4181
					More data for this Ligand-Target Pair