BDBM50256779 CHEMBL451232::trans-[2-(2-Chloro-4-fluorophenyl)cyclopropyl]methylamine Hydrochloride

SMILES: NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl

InChI Key: InChIKey=ZKKSFFWCPNXRRU-MUWHJKNJSA-N

Data: 6 KI  3 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 = 50256779   

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 2B (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Displacement of [3H]LSD from human 5HT2B receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	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 Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	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 Displacement of [3H]ketanserin from human 5HT2A receptor				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+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 Displacement of [3H]citalopram from SERT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 Displacement of [3H]nisoxetine from NET (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 Displacement of [3H]WIN35428 from DAT (unknown origin)				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50256779 (CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...) Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r| Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 52: 1885-902 (2009) Article DOI: 10.1021/jm801354e BindingDB Entry DOI: 10.7270/Q2DB81R3
					More data for this Ligand-Target Pair