Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50055003'   

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))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [125I]- RTI-55 binding at the Dopamine transporter site on HEK cells expressing cDNA for the human 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))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	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))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake at the dopamine transporter in rat striatal tissue				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))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	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 (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70	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 (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	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 in guinea pig 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))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]-WIN- 35,428 binding at the dopamine transporter in brain from guinea pig striatal membrane				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 (Homo sapiens (Human))	BDBM50055003 (6-(4-Chloro-phenyl)-2,3,4,6-tetrahydro-pyrimido[2,...) Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C17H15ClN2O/c18-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-19-10-3-11-20(16)17/h1-2,4-9,21H,3,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Drew University Curated by ChEMBL					Assay Description Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.				J Med Chem 45: 4110-8 (2002) BindingDB Entry DOI: 10.7270/Q25Q4VF3
					More data for this Ligand-Target Pair