Compile Data Set for Download or QSAR

Found 727 hits with Last Name = 'rhodes' and Initial = 'k'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394718 (CHEMBL2165801) Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317007 (2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317008 (2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1 Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394722 (CHEMBL2165807) Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)	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
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317007 (2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11551 ((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...) Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1	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
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50160855 (1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...) Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)	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
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317011 (2-amino-4-(thiazol-2-yl)-5H-indeno[1,2-d]pyrimidin...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1nccs1 Show InChI InChI=1S/C14H8N4OS/c15-14-17-10-7-3-1-2-4-8(7)12(19)9(10)11(18-14)13-16-5-6-20-13/h1-6H,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394718 (CHEMBL2165801) Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317008 (2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1 Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394717 (CHEMBL2165802) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317010 (2-amino-4-(thiophen-2-yl)-5H-indeno[1,2-d]pyrimidi...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1cccs1 Show InChI InChI=1S/C15H9N3OS/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394719 (CHEMBL2165800) Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50160855 (1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...) Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316892 (2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H...) Show SMILES Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316893 (2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H...) Show SMILES Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H19N5O/c25-24-28-21(15-6-2-1-3-7-15)20-22(29-24)19-14-17(9-10-18(19)23(20)30)27-13-11-16-8-4-5-12-26-16/h1-10,12,14,27H,11,13H2,(H2,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11551 ((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...) Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50160855 (1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...) Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317003 (2-amino-8-((morpholinoamino)methyl)-4-phenyl-5H-in...) Show SMILES Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11551 ((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...) Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394720 (CHEMBL2165799) Show SMILES Nc1nc2-c3cc(Cc4cncc(F)c4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-16-9-14(11-26-12-16)8-13-6-7-17-18(10-13)21-19(22(17)29)20(27-23(25)28-21)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394721 (CHEMBL2165808) Show SMILES Nc1nc2-c3cc(Cc4cncc(c4)C#N)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15N5O/c25-11-16-9-15(12-27-13-16)8-14-6-7-18-19(10-14)22-20(23(18)30)21(28-24(26)29-22)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8H2,(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491094 (CHEMBL2377092) Show SMILES Nc1nc(nc2sc(Cc3ccccc3Cl)cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C20H13ClN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394716 (CHEMBL2165803) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(F)(F)c1cccnc1 Show InChI InChI=1S/C23H14F2N4O/c24-23(25,15-7-4-10-27-12-15)14-8-9-16-17(11-14)20-18(21(16)30)19(28-22(26)29-20)13-5-2-1-3-6-13/h1-12H,(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317014 (2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...) Show SMILES COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12 Show InChI InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394715 (CHEMBL2165804) Show SMILES CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317003 (2-amino-8-((morpholinoamino)methyl)-4-phenyl-5H-in...) Show SMILES Nc1nc2-c3cc(CNN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O2/c23-22-25-19(15-4-2-1-3-5-15)18-20(26-22)17-12-14(6-7-16(17)21(18)28)13-24-27-8-10-29-11-9-27/h1-7,12,24H,8-11,13H2,(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394717 (CHEMBL2165802) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1 Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394722 (CHEMBL2165807) Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491101 (CHEMBL2377103) Show SMILES Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cnccn1 Show InChI InChI=1S/C17H13N5S/c18-15-13-9-12(8-11-4-2-1-3-5-11)23-17(13)22-16(21-15)14-10-19-6-7-20-14/h1-7,9-10H,8H2,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316992 (2-amino-4-phenyl-9-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(14-7-2-1-3-8-14)18-20(25-22)17-15(13-26-11-4-5-12-26)9-6-10-16(17)21(18)27/h1-3,6-10H,4-5,11-13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394719 (CHEMBL2165800) Show SMILES Nc1nc2-c3cc(Cc4ccncc4F)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H15FN4O/c24-18-12-26-9-8-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317014 (2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...) Show SMILES COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12 Show InChI InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316899 (2-amino-8-(4-methylpiperazin-1-yl)-4-phenyl-5H-ind...) Show SMILES CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 Show InChI InChI=1S/C22H21N5O/c1-26-9-11-27(12-10-26)15-7-8-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316898 (2-amino-8-morpholino-4-phenyl-5H-indeno[1,2-d]pyri...) Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C21H18N4O2/c22-21-23-18(13-4-2-1-3-5-13)17-19(24-21)16-12-14(6-7-15(16)20(17)26)25-8-10-27-11-9-25/h1-7,12H,8-11H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491105 (CHEMBL2377110) Show SMILES Cc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3Cl)sc2n1 Show InChI InChI=1S/C18H14ClN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316997 (2-amino-4-phenyl-8-((piperidin-1-ylamino)methyl)-5...) Show SMILES Nc1nc2-c3cc(CNN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O/c24-23-26-20(16-7-3-1-4-8-16)19-21(27-23)18-13-15(9-10-17(18)22(19)29)14-25-28-11-5-2-6-12-28/h1,3-4,7-10,13,25H,2,5-6,11-12,14H2,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316895 (2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4...) Show SMILES Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O3S/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-32(30,31)13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50394723 (CHEMBL2165806) Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317010 (2-amino-4-(thiophen-2-yl)-5H-indeno[1,2-d]pyrimidi...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1cccs1 Show InChI InChI=1S/C15H9N3OS/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317022 (2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,...) Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316993 (2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...) Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50491075 (CHEMBL2377111) Show SMILES Cc1ccc(o1)-c1nc(N)c2cc(Cc3ccccc3F)sc2n1 Show InChI InChI=1S/C18H14FN3OS/c1-10-6-7-15(23-10)17-21-16(20)13-9-12(24-18(13)22-17)8-11-4-2-3-5-14(11)19/h2-7,9H,8H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incub...				Bioorg Med Chem Lett 23: 2688-91 (2013) Article DOI: 10.1016/j.bmcl.2013.02.078 BindingDB Entry DOI: 10.7270/Q2222XPT
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317023 (2-amino-4-(4-fluorophenyl)-9-(morpholinomethyl)-5H...) Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN4O2/c23-15-6-4-13(5-7-15)19-18-20(26-22(24)25-19)17-14(2-1-3-16(17)21(18)28)12-27-8-10-29-11-9-27/h1-7H,8-12H2,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50317004 (2-amino-4-phenyl-8-((pyrrolidin-1-ylamino)methyl)-...) Show SMILES Nc1nc2-c3cc(CNN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-22-25-19(15-6-2-1-3-7-15)18-20(26-22)17-12-14(8-9-16(17)21(18)28)13-24-27-10-4-5-11-27/h1-3,6-9,12,24H,4-5,10-11,13H2,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2864-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.042 BindingDB Entry DOI: 10.7270/Q2GB246H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50330987 (2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...) Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at adenosine A2A receptor				J Med Chem 53: 8104-15 (2010) Checked by Author Article DOI: 10.1021/jm100971t BindingDB Entry DOI: 10.7270/Q2VT1SCG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50316894 (2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-ind...) Show SMILES Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonistic activity at adenosine A2A receptor				Bioorg Med Chem Lett 20: 2868-71 (2010) Article DOI: 10.1016/j.bmcl.2010.03.024 BindingDB Entry DOI: 10.7270/Q27S7NXB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 727 total )  |  Next  |  Last  >>

Jump to: