Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'mills' 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))	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 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 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 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 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
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391318 (CHEMBL161422) Show SMILES OC(=O)CCCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C26H27IN2O4S/c27-23-11-13-24(14-12-23)34(32,33)29-17-15-20-6-4-7-21(18-20)25(22-8-5-16-28-19-22)9-2-1-3-10-26(30)31/h4-9,11-14,16,18-19,29H,1-3,10,15,17H2,(H,30,31)/b25-9+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066999 ((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...) Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 0 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391322 (CHEMBL351657) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H25FN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003795 (5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...) Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro TXA2 synthase antagonism through inhibition of collagen induced thromboxane-A2 production in human citrated whole blood				Bioorg Med Chem Lett 1: 695-698 (1991) Checked by Author Article DOI: 10.1016/S0960-894X(01)81050-7 BindingDB Entry DOI: 10.7270/Q2125TT6
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391324 (CHEMBL348790 | GR-85305) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 Show InChI InChI=1S/C25H25IN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-16-14-19-5-3-6-20(17-19)24(8-1-2-9-25(29)30)21-7-4-15-27-18-21/h3-8,10-13,15,17-18,28H,1-2,9,14,16H2,(H,29,30)/b24-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391317 (CHEMBL162641 | GR-108774) Show SMILES CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(c1)C(=C/CCCC(O)=O)\c1cccnc1 Show InChI InChI=1S/C27H29IN2O4S/c1-27(2,19-30-35(33,34)24-14-12-23(28)13-15-24)22-9-5-7-20(17-22)25(10-3-4-11-26(31)32)21-8-6-16-29-18-21/h5-10,12-18,30H,3-4,11,19H2,1-2H3,(H,31,32)/b25-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003795 (5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...) Show SMILES OC(=O)CCCCO\N=C(\c1cccnc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066999 ((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...) Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391321 (CHEMBL162879) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C25H25N3O6S/c29-25(30)9-2-1-8-24(21-7-4-15-26-18-21)20-6-3-5-19(17-20)14-16-27-35(33,34)23-12-10-22(11-13-23)28(31)32/h3-8,10-13,15,17-18,27H,1-2,9,14,16H2,(H,29,30)/b24-8+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50067002 ((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...) Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391319 (CHEMBL164109) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 Show InChI InChI=1S/C25H25N3O6S/c29-25(30)13-4-1-10-22(21-9-6-15-26-18-21)20-8-5-7-19(17-20)14-16-27-35(33,34)24-12-3-2-11-23(24)28(31)32/h2-3,5-12,15,17-18,27H,1,4,13-14,16H2,(H,29,30)/b22-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391316 (CHEMBL422017) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCCNS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H28N2O4S/c29-26(30)16-5-4-15-25(23-12-8-17-27-20-23)22-11-6-9-21(19-22)10-7-18-28-33(31,32)24-13-2-1-3-14-24/h1-3,6,8-9,11-15,17,19-20,28H,4-5,7,10,16,18H2,(H,29,30)/b25-15+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50391325 (CHEMBL159447) Show SMILES OC(=O)CCC\C=C(\c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C25H26N2O4S/c28-25(29)14-5-4-13-24(22-10-7-16-26-19-22)21-9-6-8-20(18-21)15-17-27-32(30,31)23-11-2-1-3-12-23/h1-3,6-13,16,18-19,27H,4-5,14-15,17H2,(H,28,29)/b24-13+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood				Bioorg Med Chem Lett 1: 699-704 (1991) Article DOI: 10.1016/S0960-894X(01)81051-9 BindingDB Entry DOI: 10.7270/Q2WD41RM
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066997 ((3aS,6R)-6-Allyl-4-methanesulfonyl-5-oxo-hexahydro...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(C)(=O)=O Show InChI InChI=1S/C18H22N2O5S/c1-3-7-14-16-15(20(17(14)21)26(2,23)24)10-11-19(16)18(22)25-12-13-8-5-4-6-9-13/h3-6,8-9,14-16H,1,7,10-12H2,2H3/t14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.				J Med Chem 41: 3919-22 (1998) Article DOI: 10.1021/jm981026s BindingDB Entry DOI: 10.7270/Q2X34WMC
					More data for this Ligand-Target Pair

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