Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'yarravarapu' and Initial = 'n'   

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 serotonin transporter (Homo sapiens (Human))	BDBM50467743 (CHEMBL4281744) Show SMILES CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3ccc(cc3)C(=O)c3ccc(OCC#C)cc3)ccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C37H35FN2O4/c1-4-22-43-33-17-11-28(12-18-33)35(41)27-7-9-29(10-8-27)36(42)39-24-26-6-19-34-30(23-26)25-44-37(34,20-5-21-40(2)3)31-13-15-32(38)16-14-31/h1,6-19,23H,5,20-22,24-25H2,2-3H3,(H,39,42)/t37-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method				Bioorg Med Chem Lett 28: 3431-3435 (2018) Article DOI: 10.1016/j.bmcl.2018.09.029 BindingDB Entry DOI: 10.7270/Q20V8GHS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327157 ((R)-methyl 2-(3,4-dichlorophenyl)-2-((R)-piperidin...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method				Bioorg Med Chem Lett 28: 3431-3435 (2018) Article DOI: 10.1016/j.bmcl.2018.09.029 BindingDB Entry DOI: 10.7270/Q20V8GHS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302225 ((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...) Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Inhibition of wild type human SERT expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay				J Med Chem 58: 5609-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00682 BindingDB Entry DOI: 10.7270/Q2TH8PFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50388871 (CHEMBL2062931) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N=[N+]=[N-])c(I)c1 |r| Show InChI InChI=1S/C14H17IN4O2/c1-21-14(20)13(12-4-2-3-7-17-12)9-5-6-11(18-19-16)10(15)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327143 ((R)-methyl 2-(4-aminophenyl)-2-((R)-piperidin-2-yl...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N)cc1 |r| Show InChI InChI=1S/C14H20N2O2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9,15H2,1H3/t12-,13-/m1/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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50388869 (CHEMBL2062932) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N)c(I)c1 |r| Show InChI InChI=1S/C14H19IN2O2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-11(16)10(15)8-9/h5-6,8,12-13,17H,2-4,7,16H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50467742 (CHEMBL4292366) Show SMILES CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3cc(CN=[N+]=[N-])cc(c3)N=[N+]=[N-])ccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H29FN8O2/c1-37(2)11-3-10-28(23-5-7-24(29)8-6-23)26-9-4-19(12-22(26)18-39-28)16-32-27(38)21-13-20(17-33-35-30)14-25(15-21)34-36-31/h4-9,12-15H,3,10-11,16-18H2,1-2H3,(H,32,38)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method				Bioorg Med Chem Lett 28: 3431-3435 (2018) Article DOI: 10.1016/j.bmcl.2018.09.029 BindingDB Entry DOI: 10.7270/Q20V8GHS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327148 ((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50093443 (CHEMBL3586683) Show SMILES CN(C)CCC[C@]1(OCc2cc(CNC(=O)c3ccc(N=[N+]=[N-])c(I)c3)ccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H30O2/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16-17(19)21-16/h11-17,20H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16-,17-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Inhibition of wild type human SERT expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay				J Med Chem 58: 5609-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00682 BindingDB Entry DOI: 10.7270/Q2TH8PFC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50388870 (CHEMBL2062933) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C14H18N4O2/c1-20-14(19)13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)17-18-15/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50093442 (CHEMBL3586682) Show SMILES CN(C)CCC[C@]1(OCc2cc(CNC(=O)CCc3ccc(N=[N+]=[N-])c(I)c3)ccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H34O2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)11-12-23-21/h14-18,22H,3-13H2,1-2H3/t14-,15+,16+,17-,18-,19-,20-,21+/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
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Inhibition of wild type human SERT expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay				J Med Chem 58: 5609-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00682 BindingDB Entry DOI: 10.7270/Q2TH8PFC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327141 ((R)-methyl 2-(4-nitrophenyl)-2-((R)-piperidin-2-yl...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C14H18N2O4/c1-20-14(17)13(12-4-2-3-9-15-12)10-5-7-11(8-6-10)16(18)19/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50093441 (CHEMBL3586681) Show SMILES CN(CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)CCc1ccc(N=[N+]=[N-])c(I)c1 |r| Show InChI InChI=1S/C19H30O2/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16-17(19)21-16/h11-17,20H,3-10H2,1-2H3/t11-,12-,13-,14+,15+,16+,17+,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Inhibition of wild type human SERT expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay				J Med Chem 58: 5609-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b00682 BindingDB Entry DOI: 10.7270/Q2TH8PFC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334214 ((+/-)-threo-N-(p-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-9-17(22)10-8-16)19-4-2-3-13-26(19)14-15-5-11-18(12-6-15)24-25-23/h5-12,19-20H,2-4,13-14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50467741 (CHEMBL4277213) Show SMILES CN(CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccc(cc1)C(=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C36H31FN2O3/c1-3-21-41-33-16-10-29(11-17-33)35(40)28-8-5-26(6-9-28)24-39(2)20-4-19-36(31-12-14-32(37)15-13-31)34-18-7-27(23-38)22-30(34)25-42-36/h1,5-18,22H,4,19-21,24-25H2,2H3/t36-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method				Bioorg Med Chem Lett 28: 3431-3435 (2018) Article DOI: 10.1016/j.bmcl.2018.09.029 BindingDB Entry DOI: 10.7270/Q20V8GHS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334212 ((+/-)-threo-N-(o-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-9-11-17(22)12-10-15)19-8-4-5-13-26(19)14-16-6-2-3-7-18(16)24-25-23/h2-3,6-7,9-12,19-20H,4-5,8,13-14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	517	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334211 ((+/-)-threo-N-(p-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-5-4-6-17(22)13-16)19-7-2-3-12-26(19)14-15-8-10-18(11-9-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	658	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334209 ((+/-)-threo-N-(o-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-8-6-9-17(22)13-15)19-11-4-5-12-26(19)14-16-7-2-3-10-18(16)24-25-23/h2-3,6-10,13,19-20H,4-5,11-12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334210 ((+/-)-threo-N-(m-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-5-8-17(22)13-16)19-10-2-3-11-26(19)14-15-6-4-9-18(12-15)24-25-23/h4-9,12-13,19-20H,2-3,10-11,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334213 ((+/-)-threo-N-(m-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-8-10-17(22)11-9-16)19-7-2-3-12-26(19)14-15-5-4-6-18(13-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50327148 ((R)-methyl 2-(4-iodophenyl)-2-((R)-piperidin-2-yl)...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(I)cc1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1 |r| Show InChI InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 | METHYLPHENIDATE | methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334212 ((+/-)-threo-N-(o-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-9-11-17(22)12-10-15)19-8-4-5-13-26(19)14-16-6-2-3-7-18(16)24-25-23/h2-3,6-7,9-12,19-20H,4-5,8,13-14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334211 ((+/-)-threo-N-(p-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-5-4-6-17(22)13-16)19-7-2-3-12-26(19)14-15-8-10-18(11-9-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334209 ((+/-)-threo-N-(o-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(15-8-6-9-17(22)13-15)19-11-4-5-12-26(19)14-16-7-2-3-10-18(16)24-25-23/h2-3,6-10,13,19-20H,4-5,11-12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334214 ((+/-)-threo-N-(p-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccc(cc1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-9-17(22)10-8-16)19-4-2-3-13-26(19)14-15-5-11-18(12-6-15)24-25-23/h5-12,19-20H,2-4,13-14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334210 ((+/-)-threo-N-(m-Azido-benzyl)-3-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1cccc(I)c1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-7-5-8-17(22)13-16)19-10-2-3-11-26(19)14-15-6-4-9-18(12-15)24-25-23/h4-9,12-13,19-20H,2-3,10-11,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334213 ((+/-)-threo-N-(m-Azido-benzyl)-4-iodomethylphenida...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1cccc(c1)N=[N+]=[N-])c1ccc(I)cc1 |r| Show InChI InChI=1S/C21H23IN4O2/c1-28-21(27)20(16-8-10-17(22)11-9-16)19-7-2-3-12-26(19)14-15-5-4-6-18(13-15)24-25-23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3/t19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205478 (CHEMBL3889524) Show SMILES O=C(Cn1cc(nn1)-c1ccccc1)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C21H17N5O/c27-21(15-26-14-19(24-25-26)17-9-5-2-6-10-17)23-20-12-11-18(13-22-20)16-7-3-1-4-8-16/h1-14H,15H2,(H,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205479 (CHEMBL3925918) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C26H20N6O/c33-24(29-22-11-12-23(28-17-22)19-7-3-1-4-8-19)18-32-26(21-9-5-2-6-10-21)25(30-31-32)20-13-15-27-16-14-20/h1-17H,18H2,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205480 (CHEMBL3936691) Show SMILES COc1ccccc1-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 |(9.1,-6.3,;9.1,-7.84,;7.77,-8.62,;7.77,-10.15,;6.43,-10.93,;5.1,-10.15,;5.1,-8.61,;6.44,-7.85,;6.45,-6.32,;5.21,-5.41,;5.68,-3.95,;7.22,-3.95,;7.7,-5.41,;9.16,-5.89,;10.49,-5.1,;10.46,-3.56,;11.83,-5.86,;13.15,-5.07,;14.5,-5.82,;15.82,-5.04,;15.8,-3.49,;14.46,-2.74,;13.13,-3.53,;17.13,-2.7,;18.47,-3.46,;19.79,-2.67,;19.77,-1.13,;18.43,-.38,;17.1,-1.16,;3.74,-5.89,;3.42,-7.39,;1.95,-7.87,;.81,-6.83,;1.14,-5.33,;2.6,-4.85,)| Show InChI InChI=1S/C27H22N6O2/c1-35-23-10-6-5-9-22(23)27-26(20-13-15-28-16-14-20)31-32-33(27)18-25(34)30-24-12-11-21(17-29-24)19-7-3-2-4-8-19/h2-17H,18H2,1H3,(H,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205481 (CHEMBL3952501) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1ccco1 Show InChI InChI=1S/C24H18N6O2/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205482 (CHEMBL3943764) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1cccs1 Show InChI InChI=1S/C24H18N6OS/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205483 (CHEMBL3935037) Show SMILES FC(F)(F)c1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C27H19F3N6O/c28-27(29,30)22-9-6-20(7-10-22)26-25(19-12-14-31-15-13-19)34-35-36(26)17-24(37)33-23-11-8-21(16-32-23)18-4-2-1-3-5-18/h1-16H,17H2,(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205562 (CHEMBL3893457) Show SMILES CC(C(=O)Nc1ccc(cn1)-c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C27H22N6O/c1-19(27(34)30-24-13-12-23(18-29-24)20-8-4-2-5-9-20)33-26(22-10-6-3-7-11-22)25(31-32-33)21-14-16-28-17-15-21/h2-19H,1H3,(H,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205485 (CHEMBL3926685) Show SMILES O=C(Cn1cc(nn1)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C20H16N6O/c27-20(14-26-13-18(24-25-26)16-8-10-21-11-9-16)23-19-7-6-17(12-22-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205486 (CHEMBL3978552) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1ccccn1)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C26H20N6O/c33-24(29-23-15-14-21(17-28-23)19-9-3-1-4-10-19)18-32-26(20-11-5-2-6-12-20)25(30-31-32)22-13-7-8-16-27-22/h1-17H,18H2,(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205487 (CHEMBL3947115) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1cccnc1)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C26H20N6O/c33-24(29-23-14-13-21(17-28-23)19-8-3-1-4-9-19)18-32-26(20-10-5-2-6-11-20)25(30-31-32)22-12-7-15-27-16-22/h1-17H,18H2,(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205488 (CHEMBL3917551) Show SMILES O=C(Cn1cc(nn1)-c1ccccn1)Nc1ccc(cn1)-c1ccccc1 Show InChI InChI=1S/C20H16N6O/c27-20(14-26-13-18(24-25-26)17-8-4-5-11-21-17)23-19-10-9-16(12-22-19)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205489 (CHEMBL3943114) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C26H20N6O/c33-24(29-22-11-9-19(10-12-22)23-8-4-5-15-28-23)18-32-26(21-6-2-1-3-7-21)25(30-31-32)20-13-16-27-17-14-20/h1-17H,18H2,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205490 (CHEMBL3908747) Show SMILES Cc1ccccc1-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 |(60.11,-49.86,;58.78,-50.63,;58.78,-52.16,;57.44,-52.94,;56.1,-52.16,;56.11,-50.62,;57.45,-49.86,;57.46,-48.33,;56.22,-47.42,;56.69,-45.96,;58.23,-45.96,;58.71,-47.42,;60.17,-47.9,;61.49,-47.11,;61.47,-45.57,;62.84,-47.87,;64.16,-47.08,;65.51,-47.83,;66.82,-47.05,;66.8,-45.5,;65.47,-44.75,;64.14,-45.54,;68.13,-44.71,;69.48,-45.47,;70.8,-44.68,;70.78,-43.14,;69.43,-42.39,;68.11,-43.17,;54.75,-47.9,;54.43,-49.4,;52.96,-49.88,;51.82,-48.84,;52.14,-47.34,;53.61,-46.86,)| Show InChI InChI=1S/C27H22N6O/c1-19-7-5-6-10-23(19)27-26(21-13-15-28-16-14-21)31-32-33(27)18-25(34)30-24-12-11-22(17-29-24)20-8-3-2-4-9-20/h2-17H,18H2,1H3,(H,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205491 (CHEMBL3899701) Show SMILES Fc1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C26H19FN6O/c27-22-9-6-20(7-10-22)26-25(19-12-14-28-15-13-19)31-32-33(26)17-24(34)30-23-11-8-21(16-29-23)18-4-2-1-3-5-18/h1-16H,17H2,(H,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205492 (CHEMBL3963609) Show SMILES O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)N1CCCCC1 Show InChI InChI=1S/C25H25N7O/c33-23(28-22-10-9-21(17-27-22)31-15-5-2-6-16-31)18-32-25(20-7-3-1-4-8-20)24(29-30-32)19-11-13-26-14-12-19/h1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,27,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50205493 (CHEMBL3952665) Show SMILES COc1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C27H22N6O2/c1-35-23-10-7-21(8-11-23)27-26(20-13-15-28-16-14-20)31-32-33(27)18-25(34)30-24-12-9-22(17-29-24)19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay				Bioorg Med Chem Lett 26: 5891-5895 (2016) Article DOI: 10.1016/j.bmcl.2016.11.012 BindingDB Entry DOI: 10.7270/Q2959KJR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 74 total )  |  Next  |  Last  >>

Jump to: