Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'harvey' and Initial = 'al'   

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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206172 (1-(benzo[d][1,3]dioxol-5-ylmethyl)-2,3,4,9-tetrahy...) Show SMILES C(C1NCCc2c1[nH]c1ccccc21)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H18N2O2/c1-2-4-15-13(3-1)14-7-8-20-16(19(14)21-15)9-12-5-6-17-18(10-12)23-11-22-17/h1-6,10,16,20-21H,7-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206189 (1-(2-(propylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...) Show SMILES CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:11.11| Show InChI InChI=1S/C21H24N2S/c1-2-13-24-20-10-6-3-7-15(20)14-19-21-17(11-12-22-19)16-8-4-5-9-18(16)23-21/h3-10,19,22-23H,2,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206163 (1-(3-Methoxy-benzyl)-2,3,4,9-tetrahydro-1H-beta-ca...) Show SMILES COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1 Show InChI InChI=1S/C19H20N2O/c1-22-14-6-4-5-13(11-14)12-18-19-16(9-10-20-18)15-7-2-3-8-17(15)21-19/h2-8,11,18,20-21H,9-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206164 (1-(2-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...) Show SMILES CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9| Show InChI InChI=1S/C19H20N2S/c1-22-18-9-5-2-6-13(18)12-17-19-15(10-11-20-17)14-7-3-4-8-16(14)21-19/h2-9,17,20-21H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206169 (1-(benzo[d][1,3]dioxol-5-ylmethyl)-6-methoxy-2,3,4...) Show SMILES COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1 |w:8.8| Show InChI InChI=1S/C20H20N2O3/c1-23-13-3-4-16-15(10-13)14-6-7-21-17(20(14)22-16)8-12-2-5-18-19(9-12)25-11-24-18/h2-5,9-10,17,21-22H,6-8,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206175 (1-(3-methoxybenzyl)-6-methoxy-2,3,4,9-tetrahydro-1...) Show SMILES COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 |w:8.7| Show InChI InChI=1S/C20H22N2O2/c1-23-14-5-3-4-13(10-14)11-19-20-16(8-9-21-19)17-12-15(24-2)6-7-18(17)22-20/h3-7,10,12,19,21-22H,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206186 (2-fluoro-6-((2,3,4,9-tetrahydro-1H-pyrido[3,4-b]in...) Show SMILES Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9| Show InChI InChI=1S/C18H17FN2O/c19-14-6-3-4-11(18(14)22)10-16-17-13(8-9-20-16)12-5-1-2-7-15(12)21-17/h1-7,16,20-22H,8-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257823 (CHEMBL4089551) Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBa...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206168 (2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES COc1cc2CC3N(C)CCc4cc(OC)c(O)c(-c2cc1O)c34 |w:6.5| Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279444 (1,3-Dimethyl-8-[4-methoxy-3-(2-morpholin-4-ylethox...) Show SMILES COc1ccc(cc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H25N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-4-5-14(28-3)15(12-13)30-11-8-25-6-9-29-10-7-25/h4-5,12H,6-11H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279446 (8-[3-(2-Diethylaminoethoxy)phenyl]-1,3-dimethylxan...) Show SMILES CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H25N5O3/c1-5-24(6-2)10-11-27-14-9-7-8-13(12-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206183 ((E)-6-((benzyl(methyl)amino)methyleneamino)-2,3-di...) Show SMILES CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:17.18| Show InChI InChI=1S/C20H22N2O2/c1-15(23)24-20-11-9-17-8-10-18(12-19(17)20)21-14-22(2)13-16-6-4-3-5-7-16/h3-8,10,12,14,20H,9,11,13H2,1-2H3/b21-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206178 ((E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...) Show SMILES CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3| Show InChI InChI=1S/C21H22N2O2/c1-15(24)25-21-9-7-17-6-8-19(12-20(17)21)22-14-23-11-10-16-4-2-3-5-18(16)13-23/h2-6,8,12,14,21H,7,9-11,13H2,1H3/b22-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257884 (CHEMBL4065551) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206161 (1-(4-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...) Show SMILES CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 |w:7.6| Show InChI InChI=1S/C19H20N2S/c1-22-14-8-6-13(7-9-14)12-18-19-16(10-11-20-18)15-4-2-3-5-17(15)21-19/h2-9,18,20-21H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206174 ((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:22.24| Show InChI InChI=1S/C23H26N2O4/c1-15(26)29-21-7-5-16-4-6-19(12-20(16)21)24-14-25-9-8-17-10-22(27-2)23(28-3)11-18(17)13-25/h4,6,10-12,14,21H,5,7-9,13H2,1-3H3/b24-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206173 ((E)-7-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...) Show SMILES CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3| Show InChI InChI=1S/C22H24N2O2/c1-16(25)26-22-8-4-7-18-9-10-20(13-21(18)22)23-15-24-12-11-17-5-2-3-6-19(17)14-24/h2-3,5-6,9-10,13,15,22H,4,7-8,11-12,14H2,1H3/b23-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206162 ((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27| Show InChI InChI=1S/C23H26N2O2S2/c1-26-20-9-15-5-6-25(13-17(15)10-21(20)27-2)14-24-18-4-3-16-11-22-23(19(16)12-18)29-8-7-28-22/h3-4,9-10,12,14,22-23H,5-8,11,13H2,1-2H3/b24-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206165 ((E)-7-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25| Show InChI InChI=1S/C24H28N2O4/c1-16(27)30-22-6-4-5-17-7-8-20(13-21(17)22)25-15-26-10-9-18-11-23(28-2)24(29-3)12-19(18)14-26/h7-8,11-13,15,22H,4-6,9-10,14H2,1-3H3/b25-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206190 ((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1 |w:24.26| Show InChI InChI=1S/C25H30N2O4/c1-17(28)31-23-7-5-4-6-18-8-9-21(14-22(18)23)26-16-27-11-10-19-12-24(29-2)25(30-3)13-20(19)15-27/h8-9,12-14,16,23H,4-7,10-11,15H2,1-3H3/b26-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206162 ((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27| Show InChI InChI=1S/C23H26N2O2S2/c1-26-20-9-15-5-6-25(13-17(15)10-21(20)27-2)14-24-18-4-3-16-11-22-23(19(16)12-18)29-8-7-28-22/h3-4,9-10,12,14,22-23H,5-8,11,13H2,1-2H3/b24-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206177 ((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1 |w:24.26| Show InChI InChI=1S/C23H28N2O3/c1-27-22-11-17-9-10-25(14-18(17)12-23(22)28-2)15-24-19-8-7-16-5-3-4-6-21(26)20(16)13-19/h7-8,11-13,15,21,26H,3-6,9-10,14H2,1-2H3/b24-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257927 (CHEMBL4061406) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H11N5O2S/c1-22(20,21)10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7H,1H3,(H3,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206184 ((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28| Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206192 ((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1 |w:22.24| Show InChI InChI=1S/C21H24N2O3/c1-25-20-9-15-7-8-23(12-16(15)10-21(20)26-2)13-22-17-5-3-14-4-6-19(24)18(14)11-17/h3,5,9-11,13,19,24H,4,6-8,12H2,1-2H3/b22-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257824 (CHEMBL4074174) Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206165 ((E)-7-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25| Show InChI InChI=1S/C24H28N2O4/c1-16(27)30-22-6-4-5-17-7-8-20(13-21(17)22)25-15-26-10-9-18-11-23(28-2)24(29-3)12-19(18)14-26/h7-8,11-13,15,22H,4-6,9-10,14H2,1-3H3/b25-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279464 (1,3-Dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)-phenyl...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCC2)c1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-6-5-7-14(12-13)27-11-10-24-8-3-4-9-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279422 (8-[3-(2-Dimethylaminoethoxy)-4-methoxyphenyl]-1,3-...) Show SMILES COc1ccc(cc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C18H23N5O4/c1-21(2)8-9-27-13-10-11(6-7-12(13)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279445 (8-[3-(2-Dimethylaminoethoxy)phenyl]-1,3-dimethylxa...) Show SMILES CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)8-9-25-12-7-5-6-11(10-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-7,10H,8-9H2,1-4H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206192 ((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1 |w:22.24| Show InChI InChI=1S/C21H24N2O3/c1-25-20-9-15-7-8-23(12-16(15)10-21(20)26-2)13-22-17-5-3-14-4-6-19(24)18(14)11-17/h3,5,9-11,13,19,24H,4,6-8,12H2,1-2H3/b22-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206190 ((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1 |w:24.26| Show InChI InChI=1S/C25H30N2O4/c1-17(28)31-23-7-5-4-6-18-8-9-21(14-22(18)23)26-16-27-11-10-19-12-24(29-2)25(30-3)13-20(19)15-27/h8-9,12-14,16,23H,4-7,10-11,15H2,1-3H3/b26-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279423 (8-[3-(2-Diethylaminoethoxy)-4-methoxyphenyl]-1,3-d...) Show SMILES CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H27N5O4/c1-6-25(7-2)10-11-29-15-12-13(8-9-14(15)28-5)17-21-16-18(22-17)23(3)20(27)24(4)19(16)26/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279730 (8-[4-(2-Dimethylaminoethoxy)-3-methoxyphenyl]-1,3-...) Show SMILES COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C18H23N5O4/c1-21(2)8-9-27-12-7-6-11(10-13(12)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257859 (CHEMBL4096206) Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C12H11N5O2S/c13-12-16-10(9-5-6-15-11(9)17-12)7-1-3-8(4-2-7)20(14,18)19/h1-6H,(H2,14,18,19)(H3,13,15,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257822 (CHEMBL4088616) Show SMILES Nc1nc(-c2ccc(CO)cc2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279732 (1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethox...) Show SMILES COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(16(13-14)29-3)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50206184 ((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28| Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206170 (1-(3-methoxyphenyl)-4,9-dihydro-3H-pyrido[3,4-b]in...) Show SMILES COc1cccc(c1)C1=NCCc2c1[nH]c1ccccc21 |t:9| Show InChI InChI=1S/C18H16N2O/c1-21-13-6-4-5-12(11-13)17-18-15(9-10-19-17)14-7-2-3-8-16(14)20-18/h2-8,11,20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206177 ((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1 |w:24.26| Show InChI InChI=1S/C23H28N2O3/c1-27-22-11-17-9-10-25(14-18(17)12-23(22)28-2)15-24-19-8-7-16-5-3-4-6-21(26)20(16)13-19/h7-8,11-13,15,21,26H,3-6,9-10,14H2,1-2H3/b24-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257925 (CHEMBL4086169) Show SMILES Nc1nc(N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c2c(c[nH]c2n1)C#N |r| Show InChI InChI=1S/C12H14N6O3/c13-2-4-3-15-10-7(4)11(18-12(14)17-10)16-5-1-6(19)9(21)8(5)20/h3,5-6,8-9,19-21H,1H2,(H4,14,15,16,17,18)/t5-,6+,8+,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279447 (1,3-Dimethyl-8-[3-(2-piperidin-4-ylethoxy)phenyl]x...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCCC2)c1 Show InChI InChI=1S/C20H25N5O3/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)14-7-6-8-15(13-14)28-12-11-25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50279445 (8-[3-(2-Dimethylaminoethoxy)phenyl]-1,3-dimethylxa...) Show SMILES CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)8-9-25-12-7-5-6-11(10-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-7,10H,8-9H2,1-4H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257823 (CHEMBL4089551) Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50279421 (1,3-Dimethyl-8-[3-methoxy-4-(2-pyrrolidin-4-yletho...) Show SMILES COc1cc(ccc1OCCN1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H25N5O4/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-6-7-14(15(12-13)28-3)29-11-10-25-8-4-5-9-25/h6-7,12H,4-5,8-11H2,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting				Eur J Med Chem 44: 2122-7 (2009) Article DOI: 10.1016/j.ejmech.2008.10.017 BindingDB Entry DOI: 10.7270/Q2S182CW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50206174 ((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...) Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:22.24| Show InChI InChI=1S/C23H26N2O4/c1-15(26)29-21-7-5-16-4-6-19(12-20(16)21)24-14-25-9-8-17-10-22(27-2)23(28-3)11-18(17)13-25/h4,6,10-12,14,21H,5,7-9,13H2,1-3H3/b24-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2649-55 (2007) Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0
					More data for this Ligand-Target Pair

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