Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50035002   

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))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366600 (CHEMBL301281) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366600 (CHEMBL301281) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005560 (3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005560 (3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078778 ((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078778 ((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078781 ((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078781 ((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair