Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'de martino' and Initial = 'g'   

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))	BDBM50183549 ((S)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183539 (CHEMBL381256 | CHEMBL429492 | trans-(R,R)-4-[2-[bi...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183535 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183540 ((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183545 (CHEMBL444540 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183532 (4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1-(3,4-di...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C31H33F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-4,7-14,21,23,31H,5-6,15-20,22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183546 (CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183538 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183548 ((S)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(22-25-10-4-1-5-11-25)23-30-19-16-24(17-20-30)18-21-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183547 (CHEMBL206128 | CHEMBL255065 | trans-(S,S)-4-[2-[bi...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183542 ((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183543 ((R)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183550 ((R)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183546 (CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183533 ((S)-(-)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(25-10-4-1-5-11-25)18-22-30-20-16-24(17-21-30)19-23-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Bioorg Med Chem Lett 20: 1210-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.134 BindingDB Entry DOI: 10.7270/Q2319W1H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183538 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183541 (CHEMBL424682 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183544 (CHEMBL202644 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183543 ((R)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50124548 (CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...) Show SMILES CN(CC#C)C(=C)c1ccc[nH]1 Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria				J Med Chem 46: 917-20 (2003) Article DOI: 10.1021/jm0256124 BindingDB Entry DOI: 10.7270/Q20V8C52
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183537 ((S)-(+)-1-(2-amino-3-phenylpropyl)-4-[2-[bis-(4-fl...) Show SMILES N[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H34F2N2O/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-33(18-15-22)21-28(32)20-23-4-2-1-3-5-23/h1-13,22,28-29H,14-21,32H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183536 ((R)-(-)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...) Show SMILES O[C@@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(22-25-10-4-1-5-11-25)23-30-19-16-24(17-20-30)18-21-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183544 (CHEMBL202644 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins				Bioorg Med Chem Lett 20: 1210-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.134 BindingDB Entry DOI: 10.7270/Q2319W1H
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183534 ((R)-(-)-1-(2-amino-3-phenylpropyl)-4-[2-[bis-(4-fl...) Show SMILES N[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H34F2N2O/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-33(18-15-22)21-28(32)20-23-4-2-1-3-5-23/h1-13,22,28-29H,14-21,32H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from DAT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183537 ((S)-(+)-1-(2-amino-3-phenylpropyl)-4-[2-[bis-(4-fl...) Show SMILES N[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H34F2N2O/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-33(18-15-22)21-28(32)20-23-4-2-1-3-5-23/h1-13,22,28-29H,14-21,32H2/t28-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183538 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183539 (CHEMBL381256 | CHEMBL429492 | trans-(R,R)-4-[2-[bi...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50183534 ((R)-(-)-1-(2-amino-3-phenylpropyl)-4-[2-[bis-(4-fl...) Show SMILES N[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H34F2N2O/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-33(18-15-22)21-28(32)20-23-4-2-1-3-5-23/h1-13,22,28-29H,14-21,32H2/t28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183538 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50124547 (Benzyl-methyl-[1-(1H-pyrrol-2-yl)-vinyl]-amine | C...) Show SMILES CN(Cc1ccccc1)C(=C)c1ccc[nH]1 Show InChI InChI=1S/C14H16N2/c1-12(14-9-6-10-15-14)16(2)11-13-7-4-3-5-8-13/h3-10,15H,1,11H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria				J Med Chem 46: 917-20 (2003) Article DOI: 10.1021/jm0256124 BindingDB Entry DOI: 10.7270/Q20V8C52
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50124548 (CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...) Show SMILES CN(CC#C)C(=C)c1ccc[nH]1 Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria				J Med Chem 46: 917-20 (2003) Article DOI: 10.1021/jm0256124 BindingDB Entry DOI: 10.7270/Q20V8C52
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183540 ((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183546 (CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183542 ((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50183546 (CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183543 ((R)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50183532 (4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1-(3,4-di...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C31H33F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-4,7-14,21,23,31H,5-6,15-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183535 ((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...) Show SMILES O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183545 (CHEMBL444540 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria				J Med Chem 46: 917-20 (2003) Article DOI: 10.1021/jm0256124 BindingDB Entry DOI: 10.7270/Q20V8C52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183541 (CHEMBL424682 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...) Show SMILES C[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50183534 ((R)-(-)-1-(2-amino-3-phenylpropyl)-4-[2-[bis-(4-fl...) Show SMILES N[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H34F2N2O/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-33(18-15-22)21-28(32)20-23-4-2-1-3-5-23/h1-13,22,28-29H,14-21,32H2/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from SERT				J Med Chem 49: 1766-72 (2006) Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM15608 (CHEMBL353159 | N-Methyl,N-propargyl-1H-pyrrole-2-c...) Show SMILES CN(CC#C)C(=O)c1ccc[nH]1 Show InChI InChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria				J Med Chem 46: 917-20 (2003) Article DOI: 10.1021/jm0256124 BindingDB Entry DOI: 10.7270/Q20V8C52
					More data for this Ligand-Target Pair

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