Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'keeling' and Initial = 'se'   

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))	BDBM50085666 ((2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 Show InChI InChI=1S/C31H35N9O4/c1-2-33-29(43)26-24(41)25(42)30(44-26)40-18-37-23-27(38-31(39-28(23)40)34-14-13-21-15-32-17-36-21)35-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24-26,30,41-42H,2,13-14,16H2,1H3,(H,32,36)(H,33,43)(H2,34,35,38,39)/t24-,25+,26-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085674 ((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)| Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085671 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12 Show InChI InChI=1S/C33H42N8O4/c1-2-34-31(44)28-26(42)27(43)32(45-28)41-21-37-25-29(38-33(39-30(25)41)35-16-19-40-17-10-5-11-18-40)36-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24,26-28,32,42-43H,2,5,10-11,16-20H2,1H3,(H,34,44)(H2,35,36,38,39)/t26-,27+,28-,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085668 ((2S,3S,4R,5R)-5-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12 Show InChI InChI=1S/C17H25N7O5/c1-2-19-15(28)12-10(26)11(27)16(29-12)24-6-20-9-13(18)22-17(23-14(9)24)21-7-4-3-5-8(7)25/h6-8,10-12,16,25-27H,2-5H2,1H3,(H,19,28)(H3,18,21,22,23)/t7-,8-,10+,11-,12+,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085662 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12 Show InChI InChI=1S/C31H37N7O5/c1-2-32-29(42)26-24(40)25(41)30(43-26)38-17-34-23-27(36-31(37-28(23)38)35-21-14-9-15-22(21)39)33-16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,24-26,30,39-41H,2,9,14-16H2,1H3,(H,32,42)(H2,33,35,36,37)/t21-,22-,24+,25-,26+,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085661 ((2R,3R,4S,5R)-2-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...) Show SMILES Nc1nc(N[C@@H]2CCC[C@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O5/c16-12-9-13(20-15(19-12)18-6-2-1-3-7(6)23)21(5-17-9)14-11(25)10(24)8(4-22)26-14/h5-8,10-11,14,22-25H,1-4H2,(H3,16,18,19,20)/t6-,7-,8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085664 ((2R,3R,4S,5R)-2-[6-Amino-2-((1S,2S)-2-hydroxy-cycl...) Show SMILES Nc1nc(N[C@H]2CCC[C@@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O5/c16-12-9-13(20-15(19-12)18-6-2-1-3-7(6)23)21(5-17-9)14-11(25)10(24)8(4-22)26-14/h5-8,10-11,14,22-25H,1-4H2,(H3,16,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085663 ((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-(S)-2-hydroxy-cyc...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3O)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O5/c16-15-19-12(18-6-2-1-3-7(6)23)9-13(20-15)21(5-17-9)14-11(25)10(24)8(4-22)26-14/h5-8,10-11,14,22-25H,1-4H2,(H,18,19,20)/t6?,7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085670 ((2S,3S,4R,5R)-5-(6-Amino-2-cyclopentylamino-purin-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C17H25N7O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(18)22-17(23-14(9)24)21-8-5-3-4-6-8/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H3,18,21,22,23)/t10-,11+,12-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085672 ((2R,3R,4S,5R)-2-(6-Amino-2-cyclopentylamino-purin-...) Show SMILES Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O4/c16-12-9-13(20-15(19-12)18-7-3-1-2-4-7)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085665 ((2S,3S,4R,5R)-5-[2-Cyclopentylamino-6-(2,2-dipheny...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C31H37N7O4/c1-2-32-29(41)26-24(39)25(40)30(42-26)38-18-34-23-27(36-31(37-28(23)38)35-21-15-9-10-16-21)33-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21-22,24-26,30,39-40H,2,9-10,15-17H2,1H3,(H,32,41)(H2,33,35,36,37)/t24-,25+,26-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50085667 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Agonistic activity against Adenosine A2A receptor on rat striatal membranes				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50085667 ((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Agonistic activity against Adenosine A1 receptor on rat whole-brain membranes				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085669 ((2R,3R,4S,5R)-2-{2-Cyclopentylamino-6-[(naphthalen...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C26H30N6O4/c33-13-19-21(34)22(35)25(36-19)32-14-28-20-23(30-26(31-24(20)32)29-17-9-2-3-10-17)27-12-16-8-5-7-15-6-1-4-11-18(15)16/h1,4-8,11,14,17,19,21-22,25,33-35H,2-3,9-10,12-13H2,(H2,27,29,30,31)/t19-,21-,22-,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085673 ((2R,3R,4S,5R)-2-[2-Cyclopentylamino-6-(2,2-dipheny...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C29H34N6O4/c36-16-22-24(37)25(38)28(39-22)35-17-31-23-26(33-29(34-27(23)35)32-20-13-7-8-14-20)30-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20-22,24-25,28,36-38H,7-8,13-16H2,(H2,30,32,33,34)/t22-,24-,25-,28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085660 ((2R,3R,4S,5R)-2-{6-[2-(3-Chloro-phenyl)-ethylamino...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc(Cl)c3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C23H29ClN6O4/c24-14-5-3-4-13(10-14)8-9-25-20-17-21(29-23(28-20)27-15-6-1-2-7-15)30(12-26-17)22-19(33)18(32)16(11-31)34-22/h3-5,10,12,15-16,18-19,22,31-33H,1-2,6-9,11H2,(H2,25,27,28,29)/t16-,18-,19-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085670 ((2S,3S,4R,5R)-5-(6-Amino-2-cyclopentylamino-purin-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C17H25N7O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(18)22-17(23-14(9)24)21-8-5-3-4-6-8/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H3,18,21,22,23)/t10-,11+,12-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085664 ((2R,3R,4S,5R)-2-[6-Amino-2-((1S,2S)-2-hydroxy-cycl...) Show SMILES Nc1nc(N[C@H]2CCC[C@@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O5/c16-12-9-13(20-15(19-12)18-6-2-1-3-7(6)23)21(5-17-9)14-11(25)10(24)8(4-22)26-14/h5-8,10-11,14,22-25H,1-4H2,(H3,16,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085675 ((2S,3S,4R,5R)-5-[6-Amino-2-(1-ethyl-propylamino)-p...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(CC)CC)nc12 Show InChI InChI=1S/C17H27N7O4/c1-4-8(5-2)21-17-22-13(18)9-14(23-17)24(7-20-9)16-11(26)10(25)12(28-16)15(27)19-6-3/h7-8,10-12,16,25-26H,4-6H2,1-3H3,(H,19,27)(H3,18,21,22,23)/t10-,11+,12-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50085663 ((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-(S)-2-hydroxy-cyc...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3O)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O5/c16-15-19-12(18-6-2-1-3-7(6)23)9-13(20-15)21(5-17-9)14-11(25)10(24)8(4-22)26-14/h5-8,10-11,14,22-25H,1-4H2,(H,18,19,20)/t6?,7-,8+,10+,11+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085668 ((2S,3S,4R,5R)-5-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12 Show InChI InChI=1S/C17H25N7O5/c1-2-19-15(28)12-10(26)11(27)16(29-12)24-6-20-9-13(18)22-17(23-14(9)24)21-7-4-3-5-8(7)25/h6-8,10-12,16,25-27H,2-5H2,1H3,(H,19,28)(H3,18,21,22,23)/t7-,8-,10+,11-,12+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085671 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12 Show InChI InChI=1S/C33H42N8O4/c1-2-34-31(44)28-26(42)27(43)32(45-28)41-21-37-25-29(38-33(39-30(25)41)35-16-19-40-17-10-5-11-18-40)36-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24,26-28,32,42-43H,2,5,10-11,16-20H2,1H3,(H,34,44)(H2,35,36,38,39)/t26-,27+,28-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085674 ((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:7.12,5.4,35.37,wD:8.8,10.11,38.41,(-2.14,-10.42,;-1.05,-9.34,;-1.45,-7.85,;-.35,-6.77,;-.7,-5.26,;1.12,-7.24,;2.36,-6.34,;3.6,-7.24,;3.12,-8.72,;4.04,-9.95,;1.59,-8.72,;.69,-9.95,;3.38,-4.67,;4.3,-3.42,;3.38,-2.18,;1.92,-2.66,;.59,-1.89,;.57,-.35,;1.92,.42,;1.89,1.96,;3.23,2.73,;4.55,1.96,;5.89,2.73,;5.89,4.28,;4.53,5.03,;3.21,4.26,;.57,2.71,;.57,4.26,;-.77,5.01,;-2.1,4.24,;-2.09,2.7,;-.77,1.93,;-.75,-2.66,;-.75,-4.22,;-2.09,-4.98,;-2.87,-3.64,;-4.41,-3.66,;-5.2,-2.31,;-4.42,-.95,;-5.2,.37,;-2.87,-.95,;-2.09,-2.29,;.59,-4.98,;1.92,-4.2,)| Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085662 ((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-((1...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@@H]3CCC[C@H]3O)nc12 Show InChI InChI=1S/C31H37N7O5/c1-2-32-29(42)26-24(40)25(41)30(43-26)38-17-34-23-27(36-31(37-28(23)38)35-21-14-9-15-22(21)39)33-16-20(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,24-26,30,39-41H,2,9,14-16H2,1H3,(H,32,42)(H2,33,35,36,37)/t21-,22-,24+,25-,26+,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085672 ((2R,3R,4S,5R)-2-(6-Amino-2-cyclopentylamino-purin-...) Show SMILES Nc1nc(NC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O4/c16-12-9-13(20-15(19-12)18-7-3-1-2-4-7)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	549	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085673 ((2R,3R,4S,5R)-2-[2-Cyclopentylamino-6-(2,2-dipheny...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C29H34N6O4/c36-16-22-24(37)25(38)28(39-22)35-17-31-23-26(33-29(34-27(23)35)32-20-13-7-8-14-20)30-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20-22,24-25,28,36-38H,7-8,13-16H2,(H2,30,32,33,34)/t22-,24-,25-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>612	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085666 ((2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 Show InChI InChI=1S/C31H35N9O4/c1-2-33-29(43)26-24(41)25(42)30(44-26)40-18-37-23-27(38-31(39-28(23)40)34-14-13-21-15-32-17-36-21)35-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24-26,30,41-42H,2,13-14,16H2,1H3,(H,32,36)(H,33,43)(H2,34,35,38,39)/t24-,25+,26-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	672	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085660 ((2R,3R,4S,5R)-2-{6-[2-(3-Chloro-phenyl)-ethylamino...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3cccc(Cl)c3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C23H29ClN6O4/c24-14-5-3-4-13(10-14)8-9-25-20-17-21(29-23(28-20)27-15-6-1-2-7-15)30(12-26-17)22-19(33)18(32)16(11-31)34-22/h3-5,10,12,15-16,18-19,22,31-33H,1-2,6-9,11H2,(H2,25,27,28,29)/t16-,18-,19-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085661 ((2R,3R,4S,5R)-2-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...) Show SMILES Nc1nc(N[C@@H]2CCC[C@H]2O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C15H22N6O5/c16-12-9-13(20-15(19-12)18-6-2-1-3-7(6)23)21(5-17-9)14-11(25)10(24)8(4-22)26-14/h5-8,10-11,14,22-25H,1-4H2,(H3,16,18,19,20)/t6-,7-,8-,10-,11-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50085665 ((2S,3S,4R,5R)-5-[2-Cyclopentylamino-6-(2,2-dipheny...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NC3CCCC3)nc12 Show InChI InChI=1S/C31H37N7O4/c1-2-32-29(41)26-24(39)25(40)30(42-26)38-18-34-23-27(36-31(37-28(23)38)35-21-15-9-10-16-21)33-17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21-22,24-26,30,39-40H,2,9-10,15-17H2,1H3,(H,32,41)(H2,33,35,36,37)/t24-,25+,26-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50085659 ((2R,3R,4S,5R)-2-{2-Cyclohexylamino-6-[(naphthalen-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NC3CCCCC3)nc12 Show InChI InChI=1S/C27H32N6O4/c34-14-20-22(35)23(36)26(37-20)33-15-29-21-24(28-13-17-9-6-8-16-7-4-5-12-19(16)17)31-27(32-25(21)33)30-18-10-2-1-3-11-18/h4-9,12,15,18,20,22-23,26,34-36H,1-3,10-11,13-14H2,(H2,28,30,31,32)/t20-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Agonistic activity against Adenosine A2A receptor on rat striatal membranes				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50085659 ((2R,3R,4S,5R)-2-{2-Cyclohexylamino-6-[(naphthalen-...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(NC3CCCCC3)nc12 Show InChI InChI=1S/C27H32N6O4/c34-14-20-22(35)23(36)26(37-20)33-15-29-21-24(28-13-17-9-6-8-16-7-4-5-12-19(16)17)31-27(32-25(21)33)30-18-10-2-1-3-11-18/h4-9,12,15,18,20,22-23,26,34-36H,1-3,10-11,13-14H2,(H2,28,30,31,32)/t20-,22-,23-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Agonistic activity against Adenosine A1 receptor on rat whole-brain membranes				Bioorg Med Chem Lett 10: 403-6 (2000) BindingDB Entry DOI: 10.7270/Q2XK8G2K
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042631 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-p...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccnc1 Show InChI InChI=1S/C24H26FN3O4/c1-15(2)24-27-22(17-4-3-10-26-14-17)23(16-5-7-18(25)8-6-16)28(24)11-9-19(29)12-20(30)13-21(31)32/h3-11,14-15,19-20,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b11-9+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042607 ((E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-isoprop...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042625 ((E)-(3R,5S)-7-[2,4-Bis-(4-fluoro-phenyl)-5-isoprop...) Show SMILES CC(C)c1c(nc(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)24-23(16-3-7-18(26)8-4-16)28-25(17-5-9-19(27)10-6-17)29(24)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042620 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN2O6S/c1-16(2)26-28-24(18-5-4-6-22(13-18)36(3,34)35)25(17-7-9-19(27)10-8-17)29(26)12-11-20(30)14-21(31)15-23(32)33/h4-13,16,20-21,30-31H,14-15H2,1-3H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042615 ((E)-(3R,5S)-7-[4-(4-Chloro-3,5-dimethyl-phenyl)-5-...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cc(C)c(Cl)c(C)c1 Show InChI InChI=1S/C27H30ClFN2O4/c1-15(2)27-30-25(19-11-16(3)24(28)17(4)12-19)26(18-5-7-20(29)8-6-18)31(27)10-9-21(32)13-22(33)14-23(34)35/h5-12,15,21-22,32-33H,13-14H2,1-4H3,(H,34,35)/p-1/b10-9+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042614 (CHEMBL120932 | Sodium; 7-[4,5-bis-(4-fluoro-phenyl...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042629 (CHEMBL121309 | Sodium; 7-[3-(4-fluoro-phenyl)-5-is...) Show SMILES CC(C)c1nc(-c2ccccc2)n(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)28(19-10-8-18(26)9-11-19)25(27-24)17-6-4-3-5-7-17/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042622 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN3O4/c1-16(2)26-29-24(18-5-4-6-20(13-18)28-3)25(17-7-9-19(27)10-8-17)30(26)12-11-21(31)14-22(32)15-23(33)34/h4-13,16,21-22,28,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b12-11+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042601 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C |c:13,t:11| Show InChI InChI=1S/C25H38O5/c1-6-16(3)24(28)30-22-12-15(2)11-18-8-7-17(4)21(25(18,22)5)10-9-20-13-19(26)14-23(27)29-20/h7-8,11,15-17,19-22,26H,6,9-10,12-14H2,1-5H3/t15-,16-,17-,19+,20+,21-,22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281085 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(=O)OC Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)41)35(45,33(44)46-7)36(29,50-34)32(42)43)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042612 (CHEMBL121610 | Sodium; 7-[5-(4-fluoro-2-methyl-phe...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 |wU:21.23,18.20,(11.75,-8.16,;10.61,-7.13,;10.91,-5.62,;9.14,-7.61,;8.67,-9.07,;7.13,-9.07,;6.65,-7.61,;5.2,-7.13,;4.88,-5.62,;3.41,-5.16,;2.27,-6.18,;.8,-5.71,;2.59,-7.7,;4.06,-8.16,;4.39,-9.67,;7.9,-6.7,;7.88,-5.16,;9.23,-4.39,;9.21,-2.85,;7.88,-2.08,;10.56,-2.08,;10.54,-.54,;9.21,.23,;11.89,.23,;11.87,1.76,;13.21,2.54,;10.54,2.53,;6.22,-10.31,;4.69,-10.14,;3.78,-11.38,;4.41,-12.79,;3.5,-14.04,;5.95,-12.94,;6.84,-11.71,)| Show InChI InChI=1S/C26H28F2N2O4/c1-15(2)26-29-24(17-4-6-18(27)7-5-17)25(22-9-8-19(28)12-16(22)3)30(26)11-10-20(31)13-21(32)14-23(33)34/h4-12,15,20-21,31-32H,13-14H2,1-3H3,(H,33,34)/p-1/b11-10+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50051873 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of compound was measured against Candida squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042611 (CHEMBL333003 | Sodium; 3,5-dihydroxy-7-[6-hydroxy-...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@H](O)CC([O-])=O)[C@@]12C |c:13,t:11| Show InChI InChI=1S/C24H38O7/c1-5-14(2)23(30)31-21-12-18(26)10-16-7-6-15(3)20(24(16,21)4)9-8-17(25)11-19(27)13-22(28)29/h6-7,10,14-15,17-21,25-27H,5,8-9,11-13H2,1-4H3,(H,28,29)/p-1/t14-,15-,17?,18+,19-,20-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051872 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair

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