Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'saito' and Initial = 'dr'   

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))	BDBM50490612 (CHEMBL2337603) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490602 (CHEMBL2338047) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2FNO/c18-13-8-14(19)17(15(20)9-13)22-16(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,21H,6-7,10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490637 (CHEMBL2338049) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490621 (CHEMBL2338048) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490599 (CHEMBL2337596) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-6-8-16(9-7-15)20-17(14-10-11-19-12-14)13-4-2-1-3-5-13/h1-9,14,17,19H,10-12H2/t14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490592 (CHEMBL2337595) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-7-4-8-16(11-15)20-17(14-9-10-19-12-14)13-5-2-1-3-6-13/h1-8,11,14,17,19H,9-10,12H2/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490625 (CHEMBL2338034) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClFNO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490606 (CHEMBL2338039) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO/c1-13-11-16(19)7-8-17(13)21-18(15-9-10-20-12-15)14-5-3-2-4-6-14/h2-8,11,15,18,20H,9-10,12H2,1H3/t15-,18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490611 (CHEMBL2337604) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490600 (CHEMBL2337602) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490635 (CHEMBL2337593) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490609 (CHEMBL2338032) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cccc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490638 (CHEMBL2338051) Show SMILES [H][C@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490631 (CHEMBL2338050) Show SMILES [H][C@@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490601 (CHEMBL2337592) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490590 (CHEMBL2338053) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H15F4NO/c18-12-8-13(19)15(21)17(14(12)20)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118202 (6-(4-azido-2,3,5,6-tetrafluorobenzyloxy)-8-(tert-b...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OCc3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)OC4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C27H25F4N3O10/c1-7-19(36)42-17-16(35)25-10-5-9(23(2,3)4)24(25)18(20(37)43-22(24)44-27(25,21(38)41-10)26(7,17)39)40-6-8-11(28)13(30)15(33-34-32)14(31)12(8)29/h7,9-10,16-18,22,35,39H,5-6H2,1-4H3/t7-,9+,10?,16+,17+,18+,22?,24?,25+,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490593 (CHEMBL2338043) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490630 (CHEMBL2338052) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H15F4NO/c18-12-8-13(19)15(21)17(14(12)20)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490633 (CHEMBL2338033) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(F)cc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490604 (CHEMBL2338042) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490624 (CHEMBL2338035) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClFNO/c18-15-10-14(19)6-7-16(15)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490632 (CHEMBL2338045) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H15Cl2F2NO/c18-14-12(20)8-13(21)15(19)17(14)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490620 (CHEMBL2338054) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490619 (CHEMBL2338055) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490607 (CHEMBL2338037) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490595 (CHEMBL2337605) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490622 (CHEMBL2338044) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H16F3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490597 (CHEMBL2337591) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-14-7-5-6-10-17(14)20-18(16-11-12-19-13-16)15-8-3-2-4-9-15/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490615 (CHEMBL2337594) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-7-4-8-16(11-15)20-17(14-9-10-19-12-14)13-5-2-1-3-6-13/h1-8,11,14,17,19H,9-10,12H2/t14-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490613 (CHEMBL2337598) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H18FNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118204 (6-(4-benzoylphenylcarbonyloxy)-8-(tert-butyl)-12,1...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OC(=O)c3ccc(cc3)C(=O)c3ccccc3)OC4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C34H32O12/c1-15-25(37)43-23-22(36)32-20-14-19(30(2,3)4)31(32)24(27(39)45-29(31)46-34(32,28(40)42-20)33(15,23)41)44-26(38)18-12-10-17(11-13-18)21(35)16-8-6-5-7-9-16/h5-13,15,19-20,22-24,29,36,41H,14H2,1-4H3/t15-,19+,20?,22+,23+,24+,29?,31?,32+,33-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118194 (8-(tert-butyl)-12,17-dihydroxy-16-methyl-6-[4-(3-t...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OCc3ccc(cc3)C3(N=N3)C(F)(F)F)OC4(C(=O)O5)[C@@]12O |c:34| Show InChI InChI=1S/C29H29F3N2O10/c1-11-19(36)42-17-16(35)25-15-9-14(23(2,3)4)24(25)18(20(37)43-22(24)44-27(25,21(38)41-15)26(11,17)39)40-10-12-5-7-13(8-6-12)28(33-34-28)29(30,31)32/h5-8,11,14-18,22,35,39H,9-10H2,1-4H3/t11-,14+,15?,16+,17+,18+,22?,24?,25+,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118201 (6-(4-benzoylbenzyloxy)-8-(tert-butyl)-12,17-dihydr...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OCc3ccc(cc3)C(=O)c3ccccc3)OC4(C(=O)O5)[C@@]12O Show InChI InChI=1S/C34H34O11/c1-16-26(37)43-24-23(36)32-21-14-20(30(2,3)4)31(32)25(27(38)44-29(31)45-34(32,28(39)42-21)33(16,24)40)41-15-17-10-12-19(13-11-17)22(35)18-8-6-5-7-9-18/h5-13,16,20-21,23-25,29,36,40H,14-15H2,1-4H3/t16-,20+,21?,23+,24+,25+,29?,31?,32+,33-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490626 (CHEMBL2337608) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490614 (CHEMBL2337597) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-6-8-16(9-7-15)20-17(14-10-11-19-12-14)13-4-2-1-3-5-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490591 (CHEMBL2337590) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-14-7-5-6-10-17(14)20-18(16-11-12-19-13-16)15-8-3-2-4-9-15/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490610 (CHEMBL2338031) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490616 (CHEMBL2337589) Show SMILES [H][C@]1(CCNC1)[C@@H](Oc1ccccc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO2/c1-20-16-9-5-6-10-17(16)21-18(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,18-19H,11-13H2,1H3/t15-,18+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490603 (CHEMBL2338046) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H15Cl2F2NO/c18-14-12(20)8-13(21)15(19)17(14)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490629 (CHEMBL2337606) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490627 (CHEMBL2337607) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490605 (CHEMBL2338041) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-8-14(19)16(20)15(9-13)22-17(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,17,21H,6-7,10H2/t12-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490608 (CHEMBL2338036) Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118203 (8-(tert-butyl)-9,12,17-trihydroxy-16-methyl-6-[4-(...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(cc6)C6(N=N6)C(F)(F)F)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O |c:31| Show InChI InChI=1S/C29H29F3N2O11/c1-10-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(10,17)40)41-9-11-5-7-12(8-6-11)28(33-34-28)29(30,31)32/h5-8,10,13-18,22,35-36,40H,9H2,1-4H3/t10-,13-,14+,15+,16?,17+,18+,22?,24?,25-,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50490617 (CHEMBL2337587) Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO2/c1-20-16-9-5-6-10-17(16)21-18(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,18-19H,11-13H2,1H3/t15-,18-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane				Bioorg Med Chem Lett 23: 1456-61 (2013) Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118195 (3'-(tert-butyl)-4,9',14'-trihydroxy-2-methoxy-10'-...) Show SMILES COC1OC(=O)[C@H](O)C11[C@@H](CC2OC(=O)C3[C@@]4(O)[C@H](C)C(=O)O[C@H]4[C@H](O)[C@]123)C(C)(C)C Show InChI InChI=1S/C21H28O10/c1-7-14(24)30-13-11(22)20-9(29-15(25)10(20)21(7,13)27)6-8(18(2,3)4)19(20)12(23)16(26)31-17(19)28-5/h7-13,17,22-23,27H,6H2,1-5H3/t7-,8+,9?,10?,11+,12+,13+,17?,19?,20+,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118196 (6-(4-benzoylbenzyloxy)-8-(tert-butyl)-9,12,17-trih...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6ccc(cc6)C(=O)c6ccccc6)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C34H34O12/c1-15-26(38)43-24-22(37)32-23-20(36)21(30(2,3)4)31(32)25(27(39)45-29(31)46-34(32,28(40)44-23)33(15,24)41)42-14-16-10-12-18(13-11-16)19(35)17-8-6-5-7-9-17/h5-13,15,20-25,29,36-37,41H,14H2,1-4H3/t15-,20-,21+,22+,23?,24+,25+,29?,31?,32-,33-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Mus musculus)	BDBM50118200 (6-(4-azido-2,3,5,6-tetrafluorobenzyloxy)-8-(tert-b...) Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)C3(OC3OC(=O)[C@H](OCc6c(F)c(F)c(N=[N+]=[N-])c(F)c6F)C43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O Show InChI InChI=1S/C27H25F4N3O11/c1-6-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(6,17)40)41-5-7-8(28)10(30)12(33-34-32)11(31)9(7)29/h6,13-18,22,35-36,40H,5H2,1-4H3/t6-,13-,14+,15+,16?,17+,18+,22?,24?,25-,26-,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)				J Med Chem 45: 4038-46 (2002) BindingDB Entry DOI: 10.7270/Q29G5M5T
					More data for this Ligand-Target Pair

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