Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50055017'   

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 (Homo sapiens (Human))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in HEK cells expressing human dopamine transporter (hDAT)				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.6	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [3H]-WIN- 35,428 binding to the dopamine transporter in rat brain				J Med Chem 39: 4935-41 (1997) Article DOI: 10.1021/jm960288w BindingDB Entry DOI: 10.7270/Q2ZK5FSR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13.6	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal membrane				J Med Chem 45: 4097-109 (2002) BindingDB Entry DOI: 10.7270/Q2MC90R8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055017 (7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...) Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program/NIH Curated by ChEMBL					Assay Description Ability to displace [3H]-WIN-35,428 from dopamine transporter in rat caudate putamen tissue				J Med Chem 45: 4119-27 (2002) BindingDB Entry DOI: 10.7270/Q21Z43R6
					More data for this Ligand-Target Pair