Compile Data Set for Download or QSAR

Found 8497 hits with Last Name = 'greenlee' and Initial = 'w'   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50095105 (4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H38N2O8S2/c1-2-19-40(32,33)31-15-11-24(12-16-31)30-13-9-23(10-14-30)29(38-17-18-39-29)22-3-5-25(6-4-22)41(34,35)26-7-8-27-28(20-26)37-21-36-27/h3-8,20,23-24H,2,9-19,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364330 (CHEMBL1949936) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364327 (CHEMBL1949939) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1 Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202775 (8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...) Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1659-62 (2007) Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092959 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092959 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H36N2O5S/c1-4-35-28(31)30-19-15-24(16-20-30)29-17-13-23(14-18-29)21(2)22-5-9-26(10-6-22)36(32,33)27-11-7-25(34-3)8-12-27/h5-12,23-24H,2,4,13-20H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand				Bioorg Med Chem Lett 11: 891-4 (2001) BindingDB Entry DOI: 10.7270/Q2SN087R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103771 ((4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C37H40N2O6S/c1-43-31-11-15-33(16-12-31)46(41,42)32-13-9-28(10-14-32)37(44-25-26-45-37)29-17-21-38(22-18-29)30-19-23-39(24-20-30)36(40)35-8-4-6-27-5-2-3-7-34(27)35/h2-16,29-30H,17-26H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092961 (1-(isopropylsulfonyl)-4-(4-(1-(4-(4-methoxyphenyls...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)37(33,34)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(3)23-5-9-27(10-6-23)36(31,32)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092321 (1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H33NO3S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)31(28,29)26-14-10-24(30-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364339 (CHEMBL1950085) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-7-12(19)8-13-15(17(24)11-3-5-20-6-4-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50098086 (CHEMBL174070 | {4-[4-(Benzo[1,3]dioxole-5-sulfonyl...) Show SMILES Cc1ccsc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H32N2O6S2/c1-20-12-17-38-28(20)29(32)31-13-8-21(9-14-31)30-15-10-23(11-16-30)37-22-2-4-24(5-3-22)39(33,34)25-6-7-26-27(18-25)36-19-35-26/h2-7,12,17-18,21,23H,8-11,13-16,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand				Bioorg Med Chem Lett 11: 891-4 (2001) BindingDB Entry DOI: 10.7270/Q2SN087R
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50306442 ((6aS,13bS)-11-chloro-7-methyl-4-phenyl-6,6a,7,8,9,...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccccc1 |r| Show InChI InChI=1S/C25H24ClNO/c1-27-13-12-17-14-22(26)24(28)15-21(17)25-20-9-5-8-18(16-6-3-2-4-7-16)19(20)10-11-23(25)27/h2-9,14-15,23,25,28H,10-13H2,1H3/t23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting				Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50306440 (11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexah...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c(\C=N\OCc3ccccc3)cccc21 |r| Show InChI InChI=1S/C27H27ClN2O2/c1-30-13-12-19-14-24(28)26(31)15-23(19)27-22-9-5-8-20(21(22)10-11-25(27)30)16-29-32-17-18-6-3-2-4-7-18/h2-9,14-16,25,27,31H,10-13,17H2,1H3/b29-16+/t25-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting				Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50224406 (9-(4-chlorophenyl)-2,3-dihydro-3(R)-methyl-1H-pyri...) Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21 Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane				J Med Chem 50: 5550-3 (2007) Article DOI: 10.1021/jm070590c BindingDB Entry DOI: 10.7270/Q2D50MQX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50345941 (9-(2-Methyl-allylamino)-3-p-tolyl-3H-pyrido[3',2':...) Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12 Show InChI InChI=1S/C20H18N4OS/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(26-19)20(25)24(11-23-17)14-6-4-13(3)5-7-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1				Bioorg Med Chem Lett 19: 3199-203 (2009) Article DOI: 10.1016/j.bmcl.2009.04.104 BindingDB Entry DOI: 10.7270/Q27081SJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103774 ((5-Fluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy-ben...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cccc12 Show InChI InChI=1S/C37H39FN2O6S/c1-44-29-10-14-31(15-11-29)47(42,43)30-12-8-26(9-13-30)37(45-24-25-46-37)27-16-20-39(21-17-27)28-18-22-40(23-19-28)36(41)34-6-2-5-33-32(34)4-3-7-35(33)38/h2-15,27-28H,16-25H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of the compound against muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50306314 ((R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetr...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccc(CN(C2CCC2)C(C)=O)cc1 |r| Show InChI InChI=1S/C24H29ClN2O2/c1-16(28)27(20-4-3-5-20)14-17-6-8-18(9-7-17)22-15-26(2)11-10-19-12-23(25)24(29)13-21(19)22/h6-9,12-13,20,22,29H,3-5,10-11,14-15H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor				Bioorg Med Chem Lett 20: 836-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.100 BindingDB Entry DOI: 10.7270/Q23N23HT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103772 ((5,7-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cc(F)cc12 Show InChI InChI=1S/C37H38F2N2O6S/c1-45-29-7-11-31(12-8-29)48(43,44)30-9-5-25(6-10-30)37(46-21-22-47-37)26-13-17-40(18-14-26)28-15-19-41(20-16-28)36(42)33-4-2-3-32-34(33)23-27(38)24-35(32)39/h2-12,23-24,26,28H,13-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092969 (CHEMBL74117 | Cyclopropyl-(4-{1-[4-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C29H36N2O4S/c1-21(22-5-9-27(10-6-22)36(33,34)28-11-7-26(35-2)8-12-28)23-13-17-30(18-14-23)25-15-19-31(20-16-25)29(32)24-3-4-24/h5-12,23-25H,1,3-4,13-20H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092958 (4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand				Bioorg Med Chem Lett 11: 891-4 (2001) BindingDB Entry DOI: 10.7270/Q2SN087R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50103767 ((5,8-Difluoro-naphthalen-1-yl)-(4-{2-[4-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)ccc(F)c12 Show InChI InChI=1S/C37H38F2N2O6S/c1-45-28-7-11-30(12-8-28)48(43,44)29-9-5-25(6-10-29)37(46-23-24-47-37)26-15-19-40(20-16-26)27-17-21-41(22-18-27)36(42)32-4-2-3-31-33(38)13-14-34(39)35(31)32/h2-14,26-27H,15-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonistic activity of the compound against Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 11: 2311-4 (2001) BindingDB Entry DOI: 10.7270/Q28S4P7Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092958 (4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)vinyl)p...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H38N2O5S2/c1-4-21-36(31,32)30-19-15-25(16-20-30)29-17-13-24(14-18-29)22(2)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-3)8-12-28/h5-12,24-25H,2,4,13-21H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364340 (CHEMBL1950084) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(F)c3ccncc3)c2c1 Show InChI InChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092962 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C Show InChI InChI=1S/C30H40N2O5S/c1-22(2)21-37-30(33)32-19-15-26(16-20-32)31-17-13-25(14-18-31)23(3)24-5-9-28(10-6-24)38(34,35)29-11-7-27(36-4)8-12-29/h5-12,22,25-26H,3,13-21H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50256492 (CHEMBL480570 | N7-(2-(4-(2,4-difluorophenyl)pipera...) Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1nccnc1C Show InChI InChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 967-71 (2009) Article DOI: 10.1016/j.bmcl.2008.11.075 BindingDB Entry DOI: 10.7270/Q2CC10KT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50256419 (CHEMBL480542 | N7-(2-(4-(2,4-difluorophenyl)pipera...) Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cnco1 Show InChI InChI=1S/C21H23F2N9O/c1-29(4-5-30-6-8-31(9-7-30)16-3-2-14(22)10-15(16)23)18-11-19-26-20(17-12-25-13-33-17)28-32(19)21(24)27-18/h2-3,10-13H,4-9H2,1H3,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 967-71 (2009) Article DOI: 10.1016/j.bmcl.2008.11.075 BindingDB Entry DOI: 10.7270/Q2CC10KT
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50258880 (8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...) Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11| Show InChI InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 2519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.03.031 BindingDB Entry DOI: 10.7270/Q20V8CPS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50224407 (2,3-dihydro-9-(4-methoxyphenyl)-3(R)-methyl-1H-pyr...) Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O Show InChI InChI=1S/C19H16N4O3S/c1-10-7-20-15-13(26-10)8-21-18-14(15)16-17(27-18)19(24)23(9-22-16)11-3-5-12(25-2)6-4-11/h3-6,8-10,20H,7H2,1-2H3/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane				J Med Chem 50: 5550-3 (2007) Article DOI: 10.1021/jm070590c BindingDB Entry DOI: 10.7270/Q2D50MQX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50306452 ((6aS,13bS)-11-chloro-7-methyl-4-(pyridin-4-yl)-6,6...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccncc1 |r| Show InChI InChI=1S/C24H23ClN2O/c1-27-12-9-16-13-21(25)23(28)14-20(16)24-19-4-2-3-17(15-7-10-26-11-8-15)18(19)5-6-22(24)27/h2-4,7-8,10-11,13-14,22,24,28H,5-6,9,12H2,1H3/t22-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting				Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124943 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)cncc1Br)c1ccc(Br)cc1 Show InChI InChI=1S/C26H31Br3N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50256362 (CHEMBL470942 | N7-(cyclopropylmethyl)-N7-(2-(4-(2,...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N(CCN1CCN(CC1)c1ccc(F)cc1F)CC1CC1 Show InChI InChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 967-71 (2009) Article DOI: 10.1016/j.bmcl.2008.11.075 BindingDB Entry DOI: 10.7270/Q2CC10KT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202777 (3-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)et...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3F)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H21ClFN9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1659-62 (2007) Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092968 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H40N2O5S/c1-4-5-22-37-30(33)32-20-16-26(17-21-32)31-18-14-25(15-19-31)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092974 (1'-Benzenesulfonyl-4-{1-[4-(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H36N2O5S2/c1-24(25-8-12-29(13-9-25)39(34,35)30-14-10-28(38-2)11-15-30)26-16-20-32(21-17-26)27-18-22-33(23-19-27)40(36,37)31-6-4-3-5-7-31/h3-15,26-27H,1,16-23H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092960 (1'-(Butane-1-sulfonyl)-4-{1-[4-(4-methoxy-benzenes...) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H40N2O5S2/c1-4-5-22-37(32,33)31-20-16-26(17-21-31)30-18-14-25(15-19-30)23(2)24-6-10-28(11-7-24)38(34,35)29-12-8-27(36-3)9-13-29/h6-13,25-26H,2,4-5,14-22H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092965 (1-(4-(4-(1-(4-(4-methoxyphenylsulfonyl)phenyl)viny...) Show SMILES CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C29H38N2O4S/c1-4-5-29(32)31-20-16-25(17-21-31)30-18-14-24(15-19-30)22(2)23-6-10-27(11-7-23)36(33,34)28-12-8-26(35-3)9-13-28/h6-13,24-25H,2,4-5,14-21H2,1,3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50306443 ((6aS,13bS)-11-chloro-4-(3-fluorophenyl)-7-methyl-6...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1cccc(F)c1 |r| Show InChI InChI=1S/C25H23ClFNO/c1-28-11-10-16-13-22(26)24(29)14-21(16)25-20-7-3-6-18(19(20)8-9-23(25)28)15-4-2-5-17(27)12-15/h2-7,12-14,23,25,29H,8-11H2,1H3/t23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting				Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50345942 (3-(4-Methoxy-phenyl)-9-(2-methyl-allylamino)-3H-py...) Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O Show InChI InChI=1S/C20H18N4O2S/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(27-19)20(25)24(11-23-17)13-4-6-14(26-3)7-5-13/h4-9,11H,1,10H2,2-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1				Bioorg Med Chem Lett 19: 3199-203 (2009) Article DOI: 10.1016/j.bmcl.2009.04.104 BindingDB Entry DOI: 10.7270/Q27081SJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50364723 (CHEMBL1951662) Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12 Show InChI InChI=1S/C18H14BrN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat metabotropic glutamate receptor 1				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124953 ((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...) Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]RANTES binding to CCR5 receptor.				Bioorg Med Chem Lett 13: 709-12 (2003) BindingDB Entry DOI: 10.7270/Q2VM4CTD
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364335 (CHEMBL1950089) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12 Show InChI InChI=1S/C16H13ClN4O2/c1-7-5-9(17)6-10-12(14(22)16-18-3-4-23-16)11-8(2)20-21-15(11)19-13(7)10/h3-6,14,22H,1-2H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50373621 (CHEMBL403414) Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)Nc1ccc(cc1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H23F2N3O3S/c1-24(19-7-9-25(10-8-19)29(2,27)28)20(26)23-18-5-3-14(4-6-18)15-11-16(21)13-17(22)12-15/h3-6,11-13,19H,7-10H2,1-2H3,(H,23,26)	KEGG UniProtKB/SwissProt antibodypedia 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1146-50 (2008) Article DOI: 10.1016/j.bmcl.2007.11.132 BindingDB Entry DOI: 10.7270/Q27D2W1W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50098079 (CHEMBL170298 | {4-[4-(Benzo[1,3]dioxole-5-sulfonyl...) Show SMILES Cc1cccc(C(=O)N2CCC(CC2)N2CCC(CC2)Oc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)c1C Show InChI InChI=1S/C32H36N2O6S/c1-22-4-3-5-29(23(22)2)32(35)34-16-12-24(13-17-34)33-18-14-26(15-19-33)40-25-6-8-27(9-7-25)41(36,37)28-10-11-30-31(20-28)39-21-38-30/h3-11,20,24,26H,12-19,21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand				Bioorg Med Chem Lett 11: 891-4 (2001) BindingDB Entry DOI: 10.7270/Q2SN087R
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50210235 (4-(2-(aminomethyl)phenyl)-1-(1-phenylpentyl)piperi...) Show SMILES CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3| Show InChI InChI=1S/C23H32N2O/c1-2-3-13-22(19-9-5-4-6-10-19)25-16-14-23(26,15-17-25)21-12-8-7-11-20(21)18-24/h4-12,22,26H,2-3,13-18,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3028-33 (2007) Article DOI: 10.1016/j.bmcl.2007.03.062 BindingDB Entry DOI: 10.7270/Q2Z31ZBS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202771 (8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(tri...) Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N9O3/c1-39-13-14-40-17-4-5-19(18(15-17)26(27,28)29)36-9-6-35(7-10-36)8-11-37-16-31-21-23(37)33-25(30)38-24(21)32-22(34-38)20-3-2-12-41-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1659-62 (2007) Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202788 (3-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-8-(f...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cccc(Cl)c3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H22ClN9O/c23-15-3-1-4-16(13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(24)32-21(18)26-19(28-32)17-5-2-12-33-17/h1-5,12-14H,6-11H2,(H2,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1659-62 (2007) Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50202991 (7-(2-{4-[2-fluoro-4-(2-methoxy-ethoxy)-phenyl]-pip...) Show SMILES COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1 Show InChI InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-20(19(26)15-17)33-9-6-32(7-10-33)8-11-34-23-18(16-28-34)24-29-22(21-3-2-12-38-21)31-35(24)25(27)30-23/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50224391 (9-(4-chlorophenyl)-2,3-dihydro-1H-pyrimido[4'',5''...) Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O Show InChI InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane				J Med Chem 50: 5550-3 (2007) Article DOI: 10.1021/jm070590c BindingDB Entry DOI: 10.7270/Q2D50MQX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092973 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C Show InChI InChI=1S/C29H38N2O5S/c1-21(2)36-29(32)31-19-15-25(16-20-31)30-17-13-24(14-18-30)22(3)23-5-9-27(10-6-23)37(33,34)28-11-7-26(35-4)8-12-28/h5-12,21,24-25H,3,13-20H2,1-2,4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50092963 (4-{1-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-vinyl}...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H38N2O5S/c1-25(27-8-12-31(13-9-27)41(37,38)32-14-10-30(39-2)11-15-32)28-16-20-34(21-17-28)29-18-22-35(23-19-29)33(36)40-24-26-6-4-3-5-7-26/h3-15,28-29H,1,16-24H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.				Bioorg Med Chem Lett 10: 2247-50 (2001) BindingDB Entry DOI: 10.7270/Q2Z60NBQ
					More data for this Ligand-Target Pair

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