Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'smith' and Initial = 'hr'   

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))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041293 (1-(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7| Show InChI InChI=1S/C21H25NO/c1-3-20(23)21-18(13-17-10-11-19(21)22(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,17-19,21H,3,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22167 (1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...) Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041296 (1-(8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C18H25NO/c1-4-17(20)18-15(13-7-5-12(2)6-8-13)11-14-9-10-16(18)19(14)3/h5-8,14-16,18H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50051750 (1-[3-(4-Isopropenyl-phenyl)-8-methyl-8-aza-bicyclo...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C20H27NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,16-18,20H,2,5,10-12H2,1,3-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22397 (WIN 35,428 | [3H]WIN 35,428 | methyl (1R,2S,3S,5S)...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C |TLB:19:18:6.7:10.9.4| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	27.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	29.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22397 (WIN 35,428 | [3H]WIN 35,428 | methyl (1R,2S,3S,5S)...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C |TLB:19:18:6.7:10.9.4| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	31.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22397 (WIN 35,428 | [3H]WIN 35,428 | methyl (1R,2S,3S,5S)...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C |TLB:19:18:6.7:10.9.4| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005536 (42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...) Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	63.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					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	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50051750 (1-[3-(4-Isopropenyl-phenyl)-8-methyl-8-aza-bicyclo...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C20H27NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,16-18,20H,2,5,10-12H2,1,3-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					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	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041303 (1-[3-(4-Isopropyl-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005548 ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1 Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	433	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					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	475	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041303 (1-[3-(4-Isopropyl-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	669	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041303 (1-[3-(4-Isopropyl-phenyl)-8-methyl-8-aza-bicyclo[3...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	683	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	784	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	937	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM35228 (CHEMBL21731 | Dibencycladine | Ludiomil | maprotil...) Show SMILES CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9| Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM35228 (CHEMBL21731 | Dibencycladine | Ludiomil | maprotil...) Show SMILES CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9| Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50048392 (2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...) Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM35228 (CHEMBL21731 | Dibencycladine | Ludiomil | maprotil...) Show SMILES CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9| Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by PDSP Ki Database									J Pharmacol Exp Ther 293: 686-96 (2000) BindingDB Entry DOI: 10.7270/Q2H993QF
					More data for this Ligand-Target Pair