Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50062368'   

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))	BDBM50062368 ((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...) Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3| Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062368 ((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...) Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3| Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062368 ((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...) Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3| Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	298	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062368 ((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...) Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3| Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062368 ((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...) Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3| Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062368 ((2S,3S,8R)-2-(Benzo[1,3]dioxol-5-yloxymethyl)-3-(4...) Show SMILES CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3| Show InChI InChI=1S/C22H24FNO3/c1-24-16-6-8-20(24)19(18(10-16)14-2-4-15(23)5-3-14)12-25-17-7-9-21-22(11-17)27-13-26-21/h2-5,7,9,11,16,18-20H,6,8,10,12-13H2,1H3/t16?,18-,19+,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter				J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D
					More data for this Ligand-Target Pair