BDBM50324231 3-(5-(3-Amino-phenyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine::CHEMBL1215761

SMILES: CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1

InChI Key: InChIKey=KDRRURQANSXWJL-UHFFFAOYSA-N

Data: 4 KI

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 = 50324231   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50324231 (3-(5-(3-Amino-phenyl)-1-(4-fluorophenyl)-1,3-dihyd...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)14-4-13-25(21-8-10-22(26)11-9-21)24-12-7-19(15-20(24)17-29-25)18-5-3-6-23(27)16-18/h3,5-12,15-16H,4,13-14,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting				J Med Chem 53: 6112-21 (2010) Article DOI: 10.1021/jm1005034 BindingDB Entry DOI: 10.7270/Q22J6C2G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50324231 (3-(5-(3-Amino-phenyl)-1-(4-fluorophenyl)-1,3-dihyd...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)14-4-13-25(21-8-10-22(26)11-9-21)24-12-7-19(15-20(24)17-29-25)18-5-3-6-23(27)16-18/h3,5-12,15-16H,4,13-14,17,27H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human SERT expressed in COS7 cells after 3 mins by beta-counting				Bioorg Med Chem Lett 23: 323-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.089 BindingDB Entry DOI: 10.7270/Q23J3F85
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50324231 (3-(5-(3-Amino-phenyl)-1-(4-fluorophenyl)-1,3-dihyd...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)14-4-13-25(21-8-10-22(26)11-9-21)24-12-7-19(15-20(24)17-29-25)18-5-3-6-23(27)16-18/h3,5-12,15-16H,4,13-14,17,27H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting				J Med Chem 53: 6112-21 (2010) Article DOI: 10.1021/jm1005034 BindingDB Entry DOI: 10.7270/Q22J6C2G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50324231 (3-(5-(3-Amino-phenyl)-1-(4-fluorophenyl)-1,3-dihyd...) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O/c1-28(2)14-4-13-25(21-8-10-22(26)11-9-21)24-12-7-19(15-20(24)17-29-25)18-5-3-6-23(27)16-18/h3,5-12,15-16H,4,13-14,17,27H2,1-2H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting				J Med Chem 53: 6112-21 (2010) Article DOI: 10.1021/jm1005034 BindingDB Entry DOI: 10.7270/Q22J6C2G
					More data for this Ligand-Target Pair