Compile Data Set for Download or QSAR

Found 540 hits with Last Name = 'mikkelsen' and Initial = 'gk'   

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 M3 (Homo sapiens (Human))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-4-DAMP from human muscarinic M3 receptor expressed in BHK-21 cells				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein (Homo sapiens (Human))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-4-DAMP from human muscarinic M5 receptor expressed in BHK-21 cells				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-AFDX-384 from human muscarinic M2 receptor expressed in CHO-K1 cells				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388667 (CHEMBL2059323) Show SMILES Fc1ccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C23H25FN4O3/c24-16-6-7-19-18(14-16)25-23(30)28(19)17-8-12-26(13-9-17)10-3-11-27-20-4-1-2-5-21(20)31-15-22(27)29/h1-2,4-7,14,17H,3,8-13,15H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50202986 (2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388674 (OXIPEROMIDE) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O2/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336715 (4-(3,3-Dimethyl-butyrylamino)-3,5-difluoro-N-thiaz...) Show SMILES CC(C)(C)CC(=O)Nc1c(F)cc(cc1F)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H17F2N3O2S/c1-16(2,3)8-12(22)20-13-10(17)6-9(7-11(13)18)14(23)21-15-19-4-5-24-15/h4-7H,8H2,1-3H3,(H,20,22)(H,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388682 (CHEMBL2059318) Show SMILES Fc1ccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-21-17(16-18)6-9-23(30)28(21)13-3-12-27-14-10-19(11-15-27)29-22-5-2-1-4-20(22)26-24(29)31/h1-2,4-5,7-8,16,19H,3,6,9-15H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336712 (4-(3,3-Dimethyl-butyrylamino)-3-fluoro-N-thiazol-2...) Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1F)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H18FN3O2S/c1-16(2,3)9-13(21)19-12-5-4-10(8-11(12)17)14(22)20-15-18-6-7-23-15/h4-8H,9H2,1-3H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388671 (CHEMBL2059306) Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C24H28N4O2/c29-23-11-10-18-6-1-3-8-21(18)27(23)15-5-14-26-16-12-19(13-17-26)28-22-9-4-2-7-20(22)25-24(28)30/h1-4,6-9,19H,5,10-17H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324983 (CHEMBL1221457 | Cyclopropanecarboxylic acid[5-(3-m...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI InChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336719 (4-(3,3-Dimethyl-butyrylamino)-5-fluoro-2-methoxy-N...) Show SMILES COc1c(F)c(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1 Show InChI InChI=1S/C17H20FN3O3S/c1-17(2,3)9-12(22)20-11-6-5-10(14(24-4)13(11)18)15(23)21-16-19-7-8-25-16/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324967 (2-[(Furan-2-carbonyl)-amino]-4-phenyl-thiazole-5-c...) Show SMILES CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c1-2-22-16(21)14-13(11-7-4-3-5-8-11)18-17(24-14)19-15(20)12-9-6-10-23-12/h3-10H,2H2,1H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388683 (CHEMBL2059322) Show SMILES Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1 Show InChI InChI=1S/C23H25FN4O3/c24-16-6-7-18-20(14-16)28(23(30)25-18)17-8-12-26(13-9-17)10-3-11-27-19-4-1-2-5-21(19)31-15-22(27)29/h1-2,4-7,14,17H,3,8-13,15H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388672 (CHEMBL2059324) Show SMILES Fc1cccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c12 Show InChI InChI=1S/C23H25FN4O3/c24-17-5-3-7-19-22(17)25-23(30)28(19)16-9-13-26(14-10-16)11-4-12-27-18-6-1-2-8-20(18)31-15-21(27)29/h1-3,5-8,16H,4,9-15H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388668 (CHEMBL2059311) Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H26N4O3/c28-22-16-30-21-9-4-3-8-20(21)26(22)13-5-12-25-14-10-17(11-15-25)27-19-7-2-1-6-18(19)24-23(27)29/h1-4,6-9,17H,5,10-16H2,(H,24,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336717 (4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-...) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-12-6-5-11(9-13(12)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human adrenergic alpha1A receptor by radioligand displacement assay				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336714 (4-(3,3-Dimethyl-butyrylamino)-3-methyl-N-thiazol-2...) Show SMILES Cc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336723 (3-Chloro-4-(3,3-dimethyl-butyrylamino)-N-thiazol-2...) Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1Cl)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H18ClN3O2S/c1-16(2,3)9-13(21)19-12-5-4-10(8-11(12)17)14(22)20-15-18-6-7-23-15/h4-8H,9H2,1-3H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324975 (CHEMBL1222306 | N-[5-(5-Methyl-[1,2,4]oxadiazol-3-...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C20H16N4O2S/c1-13-21-19(24-26-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324984 (3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336720 (CHEMBL1671923 | N-(5-Chloro-thiazol-2-yl)-4-(3,3-d...) Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H18ClN3O2S/c1-16(2,3)8-13(21)19-11-6-4-10(5-7-11)14(22)20-15-18-9-12(17)23-15/h4-7,9H,8H2,1-3H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324972 (CHEMBL1222303 | Cyclopropanecarboxylic acid[5-(5-m...) Show SMILES Cc1nc(no1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI InChI=1S/C16H14N4O2S/c1-9-17-14(20-22-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-15(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336713 (3-Chloro-4-(3,3-dimethyl-butyrylamino)-5-methyl-N-...) Show SMILES Cc1cc(cc(Cl)c1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClN3O2S/c1-10-7-11(15(23)21-16-19-5-6-24-16)8-12(18)14(10)20-13(22)9-17(2,3)4/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324973 (3-Methyl-N-[5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1noc(C)n1)-c1ccccc1 Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)23-21-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336729 (4-(3,3-Dimethyl-butyrylamino)-N-thiazol-2-yl-benza...) Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 25: 1212-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.062 BindingDB Entry DOI: 10.7270/Q22Z1779
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336729 (4-(3,3-Dimethyl-butyrylamino)-N-thiazol-2-yl-benza...) Show SMILES CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human adrenergic Alpha-1D receptor by radioligand displacement assay				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50324983 (CHEMBL1221457 | Cyclopropanecarboxylic acid[5-(3-m...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 Show InChI InChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388685 (CHEMBL2059321) Show SMILES Fc1cccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c12 Show InChI InChI=1S/C23H25FN4O3/c24-17-5-3-6-18-22(17)28(23(30)25-18)16-9-13-26(14-10-16)11-4-12-27-19-7-1-2-8-20(19)31-15-21(27)29/h1-3,5-8,16H,4,9-15H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388673 (CHEMBL2059305) Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C25H29N3O/c29-25-9-7-20-4-1-2-5-24(20)28(25)15-3-14-27-16-11-19(12-17-27)21-6-8-23-22(18-21)10-13-26-23/h1-2,4-6,8,10,13,18-19,26H,3,7,9,11-12,14-17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324991 (2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol...) Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 Show InChI InChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324984 (3-Methyl-N-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-4-p...) Show SMILES CC(C)CC(=O)Nc1nc(c(s1)-c1nc(C)no1)-c1ccccc1 Show InChI InChI=1S/C17H18N4O2S/c1-10(2)9-13(22)19-17-20-14(12-7-5-4-6-8-12)15(24-17)16-18-11(3)21-23-16/h4-8,10H,9H2,1-3H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336709 (4-(3,3-Dimethyl-butyrylamino)-2-methoxy-N-thiazol-...) Show SMILES COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O3S/c1-17(2,3)10-14(21)19-11-5-6-12(13(9-11)23-4)15(22)20-16-18-7-8-24-16/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting				J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein (Homo sapiens (Human))	BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13| Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388665 (CHEMBL2059312) Show SMILES O=C1CCc2ccccc2N1OCCN1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H26N4O3/c28-22-10-9-17-5-1-3-7-20(17)27(22)30-16-15-25-13-11-18(12-14-25)26-21-8-4-2-6-19(21)24-23(26)29/h1-8,18H,9-16H2,(H,24,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324986 (CHEMBL1221504 | N-[5-(3-Methyl-[1,2,4]oxadiazol-5-...) Show SMILES Cc1noc(n1)-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 Show InChI InChI=1S/C20H16N4O2S/c1-13-21-19(26-24-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336728 (4-(3-Methyl-butyrylamino)-N-thiazol-2-yl-benzamide...) Show SMILES CC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C15H17N3O2S/c1-10(2)9-13(19)17-12-5-3-11(4-6-12)14(20)18-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,19)(H,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 25: 1212-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.062 BindingDB Entry DOI: 10.7270/Q22Z1779
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388666 (CHEMBL2059317) Show SMILES Fc1cccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc12 Show InChI InChI=1S/C24H27FN4O2/c25-19-5-3-8-21-18(19)9-10-23(30)28(21)14-4-13-27-15-11-17(12-16-27)29-22-7-2-1-6-20(22)26-24(29)31/h1-3,5-8,17H,4,9-16H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50324968 (CHEMBL1222241 | Furan-2-carboxylic acid(5-butyryl-...) Show SMILES CCCC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI InChI=1S/C18H16N2O3S/c1-2-7-13(21)16-15(12-8-4-3-5-9-12)19-18(24-16)20-17(22)14-10-6-11-23-14/h3-6,8-11H,2,7H2,1H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting				Bioorg Med Chem Lett 20: 5241-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.138 BindingDB Entry DOI: 10.7270/Q2BP02Z0
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity to human adrenergic Alpha-1B receptor by radioligand displacement assay				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50065010 (CHEMBL3401300) Show SMILES O=C(CC1CCCC1)Nc1ccc(cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H19N3O2S/c21-15(11-12-3-1-2-4-12)19-14-7-5-13(6-8-14)16(22)20-17-18-9-10-23-17/h5-10,12H,1-4,11H2,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 25: 1212-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.062 BindingDB Entry DOI: 10.7270/Q22Z1779
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50336714 (4-(3,3-Dimethyl-butyrylamino)-3-methyl-N-thiazol-2...) Show SMILES Cc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 25: 1212-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.062 BindingDB Entry DOI: 10.7270/Q22Z1779
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 25: 1212-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.062 BindingDB Entry DOI: 10.7270/Q22Z1779
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells				J Med Chem 53: 6386-97 (2010) Article DOI: 10.1021/jm100697g BindingDB Entry DOI: 10.7270/Q2765G9K
					More data for this Ligand-Target Pair

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