Compile Data Set for Download or QSAR

Found 8299 hits with Last Name = 'lu' and Initial = 'z'   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50227856 ((3R,4R)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C24H25N3O5/c1-15-12-17(19-4-2-3-5-21(19)25-15)13-32-18-8-6-16(7-9-18)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 18: 241-6 (2008) Article DOI: 10.1016/j.bmcl.2007.10.093 BindingDB Entry DOI: 10.7270/Q2JM2BGZ
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50052513 (8-Methyl-3-(2-oxo-propyl)-1-phenethyl-1,3,8-triaza...) Show SMILES CN1CCC2(CC1)N(CCc1ccccc1)CN(CC(C)=O)C2=O Show InChI InChI=1S/C19H27N3O2/c1-16(23)14-21-15-22(11-8-17-6-4-3-5-7-17)19(18(21)24)9-12-20(2)13-10-19/h3-7H,8-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova, Inc. Curated by ChEMBL					Assay Description Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731				J Med Chem 39: 3169-73 (1996) Article DOI: 10.1021/jm950676i BindingDB Entry DOI: 10.7270/Q2C24VH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26236 (CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	-54.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26236 (CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...) Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26250 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolid...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1 Show InChI InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26256 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methox...) Show SMILES COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	-52.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26255 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methox...) Show SMILES COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	-52.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Tumor necrosis factor alpha converting enzyme (TACE)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26251 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidi...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1 Show InChI InChI=1S/C21H25N7O/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-8-7-9-20(23-17)27-10-5-4-6-11-27/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.560	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50052512 (1-Cyclohexyl-8-methyl-3-(2-oxo-propyl)-1,3,8-triaz...) Show SMILES CN1CCC2(CC1)N(CN(CC(C)=O)C2=O)C1CCCCC1 Show InChI InChI=1S/C17H29N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h15H,3-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scios Nova, Inc. Curated by ChEMBL					Assay Description Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731				J Med Chem 39: 3169-73 (1996) Article DOI: 10.1021/jm950676i BindingDB Entry DOI: 10.7270/Q2C24VH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26235 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-...) Show SMILES COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50232154 (CHEMBL401321 | N-(2-(furan-2-yl)-6-(1H-pyrazol-1-y...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 Show InChI InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26249 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethyl...) Show SMILES CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26253 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methyl...) Show SMILES CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.710	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26254 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-metho...) Show SMILES COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.720	-51.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50254013 (3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]t...) Show SMILES Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N Show InChI InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114326 BindingDB Entry DOI: 10.7270/Q28D01B4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26247 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholi...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	-51.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26234 (CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Insulin-like growth factor-binding protein 4 (Homo sapiens (Human))	BDBM50106431 (1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...) Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description The compound was tested for binding affinity against Insulin-like growth factor binding protein 4				J Med Chem 44: 4001-10 (2001) BindingDB Entry DOI: 10.7270/Q2F18Z12
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275963 ((S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluor...) Show SMILES CN1CC[C@@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r| Show InChI InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)/t18-/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275961 (CHEMBL472460 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CN1CCC(C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275859 (CHEMBL472026 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CN1CCCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C23H28N6O2/c1-15-11-16(2)29(27-15)23-25-21(13-22(26-23)24-17(3)30)18-7-5-8-19(12-18)31-20-9-6-10-28(4)14-20/h5,7-8,11-13,20H,6,9-10,14H2,1-4H3,(H,24,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26234 (CHEMBL486950 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50171332 (1-(2-Bromo-4-isopropyl-phenyl)-7-methyl-5-(1-propy...) Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(cc1Br)C(C)C)c2=O |(-5.8,2.54,;-4.46,3.31,;-3.13,2.54,;-1.79,3.31,;-1.78,4.86,;-.44,5.63,;-.44,7.18,;-.44,2.52,;.9,3.29,;2.23,2.52,;2.22,.97,;.89,.2,;-.44,.97,;-1.78,.19,;-1.78,-1.36,;-3.27,-1.8,;.08,-2.35,;1.22,-1.32,;2.76,-1.46,;3.73,-2.67,;3.16,-4.1,;4.14,-5.31,;5.66,-5.06,;6.2,-3.63,;5.25,-2.44,;5.81,-1.01,;6.41,-6.39,;5.64,-7.72,;7.96,-6.41,;3.37,-.05,;4.89,.27,)| Show InChI InChI=1S/C25H33BrN4O/c1-6-8-19(9-7-2)28-12-13-29-23-22(28)14-17(5)27-24(23)30(25(29)31)21-11-10-18(16(3)4)15-20(21)26/h10-11,14-16,19H,6-9,12-13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells				J Med Chem 48: 5104-7 (2005) Article DOI: 10.1021/jm050384+ BindingDB Entry DOI: 10.7270/Q2610ZVM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26241 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypy...) Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 Show InChI InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266505 (CHEMBL515526 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1O Show InChI InChI=1S/C17H17N5O2/c1-10-8-11(2)22(21-10)17-19-14(9-16(20-17)18-12(3)23)13-6-4-5-7-15(13)24/h4-9,24H,1-3H3,(H,18,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26257 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydrox...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1 Show InChI InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275803 (CHEMBL469324 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275801 (CHEMBL469963 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(O)c1 Show InChI InChI=1S/C17H17N5O2/c1-10-7-11(2)22(21-10)17-19-15(9-16(20-17)18-12(3)23)13-5-4-6-14(24)8-13/h4-9,24H,1-3H3,(H,18,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275962 ((R)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluor...) Show SMILES CN1CC[C@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r| Show InChI InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275660 (CHEMBL488797 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1ccccc1-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-15(10-17(21-18)19-13(3)24)14-7-5-6-8-16(14)25-4/h5-10H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275695 (CHEMBL506129 | N-(6-(3-cyanophenyl)-2-(3,5-dimethy...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C#N Show InChI InChI=1S/C18H16N6O/c1-11-7-12(2)24(23-11)18-21-16(9-17(22-18)20-13(3)25)15-6-4-5-14(8-15)10-19/h4-9H,1-3H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275745 (CHEMBL519566 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(O)cc(F)c1 Show InChI InChI=1S/C17H16FN5O2/c1-9-4-10(2)23(22-9)17-20-15(8-16(21-17)19-11(3)24)12-5-13(18)7-14(25)6-12/h4-8,25H,1-3H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50171318 (1-(4-Methoxy-phenyl)-7-methyl-5-(1-propyl-butyl)-4...) Show SMILES CCCC(CCC)N1CCn2c3c1cc(C)nc3n(-c1ccc(OC)cc1)c2=O Show InChI InChI=1S/C23H30N4O2/c1-5-7-17(8-6-2)25-13-14-26-21-20(25)15-16(3)24-22(21)27(23(26)28)18-9-11-19(29-4)12-10-18/h9-12,15,17H,5-8,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells				J Med Chem 48: 5104-7 (2005) Article DOI: 10.1021/jm050384+ BindingDB Entry DOI: 10.7270/Q2610ZVM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275742 (CHEMBL504812 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-10-7-11(2)26(25-10)17-23-15(9-16(24-17)22-12(3)27)13-5-4-6-14(8-13)18(19,20)21/h4-9H,1-3H3,(H,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275913 ((S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-me...) Show SMILES CN1CC[C@@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r| Show InChI InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275696 (CHEMBL486552 | N-(6-(3-(cyanomethyl)phenyl)-2-(3,5...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(CC#N)c1 Show InChI InChI=1S/C19H18N6O/c1-12-9-13(2)25(24-12)19-22-17(11-18(23-19)21-14(3)26)16-6-4-5-15(10-16)7-8-20/h4-6,9-11H,7H2,1-3H3,(H,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50120691 ((R)-N-hydroxy-2-((S)-3-methyl-2-oxo-3-(4-phenoxyph...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity towards Matrix metalloprotease-9 (MMP-9)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair
Insulin-like growth factor-binding protein 2 (Homo sapiens (Human))	BDBM50106431 (1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...) Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description The compound was tested for binding affinity against insulin-like growth factor binding protein 2				J Med Chem 44: 4001-10 (2001) BindingDB Entry DOI: 10.7270/Q2F18Z12
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26252 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxaz...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1 Show InChI InChI=1S/C21H25N7O2/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-6-4-7-20(23-17)27-8-5-10-30-11-9-27/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,22,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-48.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26237 (CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	-48.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26237 (CHEMBL458242 | N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM413601 (US10421722, Compound 9b) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(SCCCF)cc1 |r| Show InChI InChI=1S/C25H30FNO2S/c26-12-3-15-30-22-8-6-18(7-9-22)25(29)19-10-13-27(14-11-19)23-16-20-4-1-2-5-21(20)17-24(23)28/h1-2,4-9,19,23-24,28H,3,10-17H2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University US Patent					Assay Description The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...				US Patent US10421722 (2019) BindingDB Entry DOI: 10.7270/Q2BC41W3
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM413600 (US10421722, Compound 9a) Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(SCCF)cc1 |r| Show InChI InChI=1S/C24H28FNO2S/c25-11-14-29-21-7-5-17(6-8-21)24(28)18-9-12-26(13-10-18)22-15-19-3-1-2-4-20(19)16-23(22)27/h1-8,18,22-23,27H,9-16H2/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University US Patent					Assay Description The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...				US Patent US10421722 (2019) BindingDB Entry DOI: 10.7270/Q2BC41W3
					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM413594 (US10421722, Compound 3) Show SMILES CSc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r| Show InChI InChI=1S/C23H27NO2S/c1-27-20-8-6-16(7-9-20)23(26)17-10-12-24(13-11-17)21-14-18-4-2-3-5-19(18)15-22(21)25/h2-9,17,21-22,25H,10-15H2,1H3/t21-,22-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University US Patent					Assay Description The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...				US Patent US10421722 (2019) BindingDB Entry DOI: 10.7270/Q2BC41W3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266476 (CHEMBL508786 | N-[6-((R)-2-Methoxymethylpyrrolidin...) Show SMILES COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 |r| Show InChI InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50120691 ((R)-N-hydroxy-2-((S)-3-methyl-2-oxo-3-(4-phenoxyph...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Matrix metalloprotease-2 (MMP-2)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM26238 (N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypy...) Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1 Show InChI InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	-48.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Neurocrine Bioscience					Assay Description The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...				J Med Chem 51: 7099-7110 (2008) Article DOI: 10.1021/jm800851u BindingDB Entry DOI: 10.7270/Q20R9MQG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50275800 (CHEMBL469962 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES COc1c(F)cccc1-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-15(9-16(22-18)20-12(3)25)13-6-5-7-14(19)17(13)26-4/h5-9H,1-4H3,(H,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21172 (CHEMBL251975 | N-[2-(furan-2-yl)-6-(1H-pyrazol-1-y...) Show SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 Show InChI InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair

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