Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50034776   

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	Article	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283380 (3-Benzoyloxy-8-carboxymethyl-8-aza-bicyclo[3.2.1]o...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2CC(O)=O |THB:2:4:20:6.7| Show InChI InChI=1S/C18H21NO6/c1-24-18(23)16-13-8-7-12(19(13)10-15(20)21)9-14(16)25-17(22)11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283377 (3-Benzoyloxy-8-methoxycarbonylmethyl-8-aza-bicyclo...) Show SMILES COC(=O)CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC |TLB:22:10:5:8.7| Show InChI InChI=1S/C19H23NO6/c1-24-16(21)11-20-13-8-9-14(20)17(19(23)25-2)15(10-13)26-18(22)12-6-4-3-5-7-12/h3-7,13-15,17H,8-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283376 (3-Benzoyloxy-8-(2-hydroxy-ethyl)-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2CCO |THB:2:4:20:6.7| Show InChI InChI=1S/C18H23NO5/c1-23-18(22)16-14-8-7-13(19(14)9-10-20)11-15(16)24-17(21)12-5-3-2-4-6-12/h2-6,13-16,20H,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283381 (3-Benzoyloxy-8-nitro-8-aza-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2[N+]([O-])=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18N2O6/c1-23-16(20)14-12-8-7-11(17(12)18(21)22)9-13(14)24-15(19)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283378 (Benzoic acid 5-oxo-6,7-diaza-tricyclo[5.3.0.0*4,8*...) Show SMILES O=C(OC1CC2CCC3C1C(=O)NN23)c1ccccc1 |TLB:7:8:12.10:3.5.4,THB:12:13:9.3.4:7.6,10:9:13:7.6,2:3:13:7.6| Show InChI InChI=1S/C15H16N2O3/c18-14-13-11-7-6-10(17(11)16-14)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283375 (3-Benzoyloxy-8-nitroso-8-aza-bicyclo[3.2.1]octane-...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2N=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18N2O5/c1-22-16(20)14-12-8-7-11(18(12)17-21)9-13(14)23-15(19)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283379 (8-Acetylamino-3-benzoyloxy-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2NC(C)=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C18H22N2O5/c1-11(21)19-20-13-8-9-14(20)16(18(23)24-2)15(10-13)25-17(22)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair