Compile Data Set for Download or QSAR

Found 1323 hits with Last Name = 'gilbert' and Initial = 'am'   

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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US9617258, Example 5) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.0269	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK) (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US9617258, Example 5) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153628 (4-[3-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...) Show SMILES C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:21| Show InChI InChI=1S/C28H28N2O/c1-2-6-21-17-22(10-9-20(21)5-1)23-18-24-11-12-25(19-23)30(24)15-4-16-31-28-8-3-7-27-26(28)13-14-29-27/h1-3,5-10,13-14,17-18,24-25,29H,4,11-12,15-16,19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153629 (4-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...) Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2[nH]ccc12 |c:8| Show InChI InChI=1S/C27H26N2O/c1-2-5-20-16-21(9-8-19(20)4-1)22-17-23-10-11-24(18-22)29(23)14-15-30-27-7-3-6-26-25(27)12-13-28-26/h1-9,12-13,16-17,23-24,28H,10-11,14-15,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138479 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13| Show InChI InChI=1S/C24H26F3NO4/c1-30-20-6-3-7-21-22(20)32-19(14-31-21)13-28-17-8-9-18(28)12-23(29,11-17)15-4-2-5-16(10-15)24(25,26)27/h2-7,10,17-19,29H,8-9,11-14H2,1H3/t17-,18+,19-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153621 ((S)-1-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1...) Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc(Cl)c(Cl)c1 |c:22| Show InChI InChI=1S/C24H24Cl2N2O2/c25-21-7-4-15(12-22(21)26)16-10-17-5-6-18(11-16)28(17)13-19(29)14-30-24-3-1-2-23-20(24)8-9-27-23/h1-4,7-10,12,17-19,27,29H,5-6,11,13-14H2/t17?,18?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153630 (5-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...) Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2ncccc12 |c:8| Show InChI InChI=1S/C28H26N2O/c1-2-6-21-17-22(11-10-20(21)5-1)23-18-24-12-13-25(19-23)30(24)15-16-31-28-9-3-8-27-26(28)7-4-14-29-27/h1-11,14,17-18,24-25H,12-13,15-16,19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153619 (4-{2-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2CCOc1cccc2[nH]ccc12 |t:9| Show InChI InChI=1S/C23H22Cl2N2O/c24-20-7-4-15(14-21(20)25)16-12-17-5-6-18(13-16)27(17)10-11-28-23-3-1-2-22-19(23)8-9-26-22/h1-4,7-9,12,14,17-18,26H,5-6,10-11,13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153627 (8-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...) Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2cccnc12 |c:8| Show InChI InChI=1S/C28H26N2O/c1-2-6-22-17-23(11-10-20(22)5-1)24-18-25-12-13-26(19-24)30(25)15-16-31-27-9-3-7-21-8-4-14-29-28(21)27/h1-11,14,17-18,25-26H,12-13,15-16,19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153625 ((S)-1-(1H-Indol-4-yloxy)-3-(3-naphthalen-2-yl-8-az...) Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:22| Show InChI InChI=1S/C28H28N2O2/c31-25(18-32-28-7-3-6-27-26(28)12-13-29-27)17-30-23-10-11-24(30)16-22(15-23)21-9-8-19-4-1-2-5-20(19)14-21/h1-9,12-15,23-25,29,31H,10-11,16-18H2/t23?,24?,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US9617258, Example 5) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.545	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153632 (1H-4-indolyl 3-[3-(1H-3-indolyl)-8-azabicyclo[3.2....) Show SMILES C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:21| Show InChI InChI=1S/C26H27N3O/c1-2-6-24-21(5-1)23(17-28-24)18-15-19-9-10-20(16-18)29(19)13-4-14-30-26-8-3-7-25-22(26)11-12-27-25/h1-3,5-8,11-12,15,17,19-20,27-28H,4,9-10,13-14,16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153633 (4-{3-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2CCCOc1cccc2[nH]ccc12 |t:9| Show InChI InChI=1S/C24H24Cl2N2O/c25-21-8-5-16(15-22(21)26)17-13-18-6-7-19(14-17)28(18)11-2-12-29-24-4-1-3-23-20(24)9-10-27-23/h1,3-5,8-10,13,15,18-19,27H,2,6-7,11-12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TEC (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US9617258, Example 5) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.679	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138478 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153626 (1H-4-indolyl 2-[3-(1H-3-indolyl)-8-azabicyclo[3.2....) Show SMILES C(CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:8| Show InChI InChI=1S/C25H25N3O/c1-2-5-23-20(4-1)22(16-27-23)17-14-18-8-9-19(15-17)28(18)12-13-29-25-7-3-6-24-21(25)10-11-26-24/h1-7,10-11,14,16,18-19,26-27H,8-9,12-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138483 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138480 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138474 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14| Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL									Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138485 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14| Show InChI InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334105 ((4-methoxy-3-(phenylethynyl)phenyl)(4-(5-methylpyr...) Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1 Show InChI InChI=1S/C26H25N3O2/c1-20-8-13-25(27-19-20)28-14-16-29(17-15-28)26(30)23-11-12-24(31-2)22(18-23)10-9-21-6-4-3-5-7-21/h3-8,11-13,18-19H,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138470 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153624 (1-Methyl-4-[2-(3-naphthalen-2-yl-8-aza-bicyclo[3.2...) Show SMILES Cn1ccc2c(OCCN3C4CCC3C=C(C4)c3ccc4ccccc4c3)cccc12 |c:15| Show InChI InChI=1S/C28H28N2O/c1-29-14-13-26-27(29)7-4-8-28(26)31-16-15-30-24-11-12-25(30)19-23(18-24)22-10-9-20-5-2-3-6-21(20)17-22/h2-10,13-14,17-18,24-25H,11-12,15-16,19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138471 (3-(3,4-Dichloro-phenyl)-8-((S)-8-methoxy-2,3-dihyd...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17| Show InChI InChI=1S/C23H23Cl2NO3/c1-27-21-3-2-4-22-23(21)29-18(13-28-22)12-26-16-6-7-17(26)10-15(9-16)14-5-8-19(24)20(25)11-14/h2-5,8-9,11,16-18H,6-7,10,12-13H2,1H3/t16?,17?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL									Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334106 ((3-((3-chlorophenyl)ethynyl)-4-methoxyphenyl)(4-(p...) Show SMILES COc1ccc(cc1C#Cc1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccncn1 Show InChI InChI=1S/C24H21ClN4O2/c1-31-22-8-7-20(16-19(22)6-5-18-3-2-4-21(25)15-18)24(30)29-13-11-28(12-14-29)23-9-10-26-17-27-23/h2-4,7-10,15-17H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153631 (8-[2-(Indan-4-yloxy)-ethyl]-3-naphthalen-2-yl-8-az...) Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2CCCc12 |c:8| Show InChI InChI=1S/C28H29NO/c1-2-6-22-17-23(12-11-20(22)5-1)24-18-25-13-14-26(19-24)29(25)15-16-30-28-10-4-8-21-7-3-9-27(21)28/h1-2,4-6,8,10-12,17-18,25-26H,3,7,9,13-16,19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138473 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C28H31NO4/c1-2-31-25-8-5-9-26-27(25)33-24(18-32-26)17-29-22-12-13-23(29)16-28(30,15-22)21-11-10-19-6-3-4-7-20(19)14-21/h3-11,14,22-24,30H,2,12-13,15-18H2,1H3/t22-,23+,24-,28+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US9617258, Example 5) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138476 (5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17| Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138479 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13| Show InChI InChI=1S/C24H26F3NO4/c1-30-20-6-3-7-21-22(20)32-19(14-31-21)13-28-17-8-9-18(28)12-23(29,11-17)15-4-2-5-16(10-15)24(25,26)27/h2-7,10,17-19,29H,8-9,11-14H2,1H3/t17-,18+,19-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL									Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153620 (5-{2-[3-(1H-Indol-2-yl)-8-aza-bicyclo[3.2.1]oct-2-...) Show SMILES C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12 |c:8| Show InChI InChI=1S/C26H25N3O/c1-2-7-23-18(5-1)17-25(28-23)19-15-20-10-11-21(16-19)29(20)13-14-30-26-9-3-8-24-22(26)6-4-12-27-24/h1-9,12,15,17,20-21,28H,10-11,13-14,16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138485 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14| Show InChI InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL									Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin (Rattus norvegicus (rat))	BDBM50153623 (4-[2-(3-Benzo[b]thiophen-3-yl-8-aza-bicyclo[3.2.1]...) Show SMILES C(CN1C2CCC1C=C(C2)c1csc2ccccc12)Oc1cccc2[nH]ccc12 |c:8| Show InChI InChI=1S/C25H24N2OS/c1-2-7-25-20(4-1)22(16-29-25)17-14-18-8-9-19(15-17)27(18)12-13-28-24-6-3-5-23-21(24)10-11-26-23/h1-7,10-11,14,16,18-19,26H,8-9,12-13,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin transporter				Bioorg Med Chem Lett 14: 5281-4 (2004) Article DOI: 10.1016/j.bmcl.2004.08.030 BindingDB Entry DOI: 10.7270/Q2F76C1B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138472 ((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-ethoxy...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15| Show InChI InChI=1S/C26H29NO4S/c1-2-29-22-7-5-8-23-25(22)31-19(15-30-23)14-27-17-10-11-18(27)13-26(28,12-17)21-16-32-24-9-4-3-6-20(21)24/h3-9,16-19,28H,2,10-15H2,1H3/t17-,18+,19-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334108 ((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(5-met...) Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccc(C)cn1 Show InChI InChI=1S/C25H24N4O2/c1-19-6-11-24(27-18-19)28-13-15-29(16-14-28)25(30)21-8-10-23(31-2)20(17-21)7-9-22-5-3-4-12-26-22/h3-6,8,10-12,17-18H,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334107 ((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyridin-2-y...) Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C25H23N3O2/c1-30-23-13-12-22(19-21(23)11-10-20-7-3-2-4-8-20)25(29)28-17-15-27(16-18-28)24-9-5-6-14-26-24/h2-9,12-14,19H,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334109 ((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrid...) Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H22N4O2/c1-30-22-11-9-20(18-19(22)8-10-21-6-2-4-12-25-21)24(29)28-16-14-27(15-17-28)23-7-3-5-13-26-23/h2-7,9,11-13,18H,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334110 ((4-methoxy-3-(thiazol-2-ylethynyl)phenyl)(4-(pyrid...) Show SMILES COc1ccc(cc1C#Cc1nccs1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H20N4O2S/c1-28-19-7-5-18(16-17(19)6-8-21-24-10-15-29-21)22(27)26-13-11-25(12-14-26)20-4-2-3-9-23-20/h2-5,7,9-10,15-16H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138475 (8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17| Show InChI InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334111 ((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyrazin-2-y...) Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C24H22N4O2/c1-30-22-10-9-21(17-20(22)8-7-19-5-3-2-4-6-19)24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-6,9-12,17-18H,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334112 ((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrim...) Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccncn1 Show InChI InChI=1S/C23H21N5O2/c1-30-21-8-6-19(16-18(21)5-7-20-4-2-3-10-25-20)23(29)28-14-12-27(13-15-28)22-9-11-24-17-26-22/h2-4,6,8-11,16-17H,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM209866 (PF-06651600 | US9617258, Example 5) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Worldwide R&D					Assay Description Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...				ACS Chem Biol 11: 3442-3451 (2016) Article DOI: 10.1021/acschembio.6b00677 BindingDB Entry DOI: 10.7270/Q2PN94F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17| Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138470 ((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...) Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15| Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334113 ((4-methoxy-3-((6-methylpyridin-2-yl)ethynyl)phenyl...) Show SMILES COc1ccc(cc1C#Cc1cccc(C)n1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C25H24N4O2/c1-19-6-5-7-22(27-19)11-9-20-18-21(10-12-23(20)31-2)25(30)29-16-14-28(15-17-29)24-8-3-4-13-26-24/h3-8,10,12-13,18H,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138484 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3OC)Oc12 |THB:10:11:17.19.16:14.13| Show InChI InChI=1S/C24H29NO5/c1-27-20-7-4-3-6-19(20)24(26)12-16-10-11-17(13-24)25(16)14-18-15-29-22-9-5-8-21(28-2)23(22)30-18/h3-9,16-18,26H,10-15H2,1-2H3/t16-,17+,18-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138478 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14| Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A) (Homo sapiens (Human))	BDBM50138481 ((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...) Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:10:11:17.19.16:14.13| Show InChI InChI=1S/C22H26N2O4/c1-26-18-5-4-6-19-21(18)28-17(14-27-19)13-24-15-8-9-16(24)12-22(25,11-15)20-7-2-3-10-23-20/h2-7,10,15-17,25H,8-9,11-14H2,1H3/t15-,16+,17-,22+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17| Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL									Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334114 ((4-methyl-3-(phenylethynyl)phenyl)(4-(pyridin-2-yl...) Show SMILES Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C25H23N3O/c1-20-10-12-23(19-22(20)13-11-21-7-3-2-4-8-21)25(29)28-17-15-27(16-18-28)24-9-5-6-14-26-24/h2-10,12,14,19H,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair

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