Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50130348'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50130348 ((2R,3S)-ethyl 3-(bis(4-fluorophenyl)methoxy)-8-met...) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3/t19?,20?,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.87	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 Sprague-Dawley rat brain				J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50130348 ((2R,3S)-ethyl 3-(bis(4-fluorophenyl)methoxy)-8-met...) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3/t19?,20?,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description In vitro dopamine transporter binding affinity using [3H]WIN-35428 as radioligand was determined				J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50130348 ((2R,3S)-ethyl 3-(bis(4-fluorophenyl)methoxy)-8-met...) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3/t19?,20?,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	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]dopamine uptake at DAT in Sprague-Dawley rat brain				J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50130348 ((2R,3S)-ethyl 3-(bis(4-fluorophenyl)methoxy)-8-met...) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3/t19?,20?,21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description In vitro potency for inhibiting [3H]- dopamine uptake was determined				J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0
					More data for this Ligand-Target Pair