Compile Data Set for Download or QSAR

Found 433 hits with Last Name = 'mansell' and Initial = 'hl'   

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))	BDBM35836 (pyrimidine-4-carboxamide, 118) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1 Show InChI InChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50176272 ((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...) Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12 Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294501 (2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridi...) Show SMILES COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 Show InChI InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35834 (pyrimidine-4-carboxamide, 116) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1 Show InChI InChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294507 (2-amino-6-(furan-2-yl)-N-(2-methylbenzyl)pyrimidin...) Show SMILES Cc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O2/c1-11-5-2-3-6-12(11)10-19-16(22)14-9-13(20-17(18)21-14)15-7-4-8-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144841 ((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144841 ((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50176265 ((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12 Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35829 (pyrimidine-4-carboxamide, 111) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1 Show InChI InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35833 (pyrimidine-4-carboxamide, 115) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C Show InChI InChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294508 (2-amino-6-(furan-2-yl)-N-(3-methylbenzyl)pyrimidin...) Show SMILES Cc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294505 (2-amino-N-(2-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C16H13ClN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35784 (pyrimidine-4-carboxamide, 19 | pyrimidine-4-carbox...) Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35784 (pyrimidine-4-carboxamide, 19 | pyrimidine-4-carbox...) Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35830 (pyrimidine-4-carboxamide, 112) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C Show InChI InChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35832 (pyrimidine-4-carboxamide, 114) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1 Show InChI InChI=1S/C18H19N5O2/c1-10-4-6-13(21-12(10)3)9-20-17(24)15-8-14(22-18(19)23-15)16-7-5-11(2)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35843 (pyrimidine-4-carboxamide, 28) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C Show InChI InChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144846 ((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...) Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294510 (2-amino-6-(furan-2-yl)-N-(2-methoxybenzyl)pyrimidi...) Show SMILES COc1ccccc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-6-3-2-5-11(14)10-19-16(22)13-9-12(20-17(18)21-13)15-7-4-8-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35837 (pyrimidine-4-carboxamide, 119) Show SMILES CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294503 (2-amino-N-(2-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294506 (2-amino-N-(3-chlorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35786 (pyrimidine-4-carboxamide, 27) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35785 (pyrimidine-4-carboxamide, 25) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35785 (pyrimidine-4-carboxamide, 25) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294504 (2-amino-N-(3-fluorobenzyl)-6-(furan-2-yl)pyrimidin...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C16H13FN4O2/c17-11-4-1-3-10(7-11)9-19-15(22)13-8-12(20-16(18)21-13)14-5-2-6-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35774 (triazine-4-carboxamide, 6) Show SMILES Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35835 (pyrimidine-4-carboxamide, 117) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C Show InChI InChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50144841 ((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2B				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50144841 ((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12 Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35839 (pyrimidine-4-carboxamide, 121) Show SMILES CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144835 ((S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol...) Show SMILES CSc1ccc2CCN(C[C@H](C)N)c2c1 Show InChI InChI=1S/C12H18N2S/c1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35838 (pyrimidine-4-carboxamide, 120) Show SMILES CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 Show InChI InChI=1S/C17H20N6O2/c1-3-7-23-8-6-19-15(23)10-20-16(24)13-9-12(21-17(18)22-13)14-5-4-11(2)25-14/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35845 (pyrimidine-4-carboxamide, 58) Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294511 (2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidi...) Show SMILES COc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)	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	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144839 ((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...) Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35777 (triazine-4-carboxamide, 9) Show SMILES COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 Show InChI InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35841 (pyrimidine-4-carboxamide, 123) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1 Show InChI InChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294500 (2-amino-N-((6-aminopyridin-2-yl)methyl)-6-(furan-2...) Show SMILES Nc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 Show InChI InChI=1S/C15H14N6O2/c16-13-5-1-3-9(19-13)8-18-14(22)11-7-10(20-15(17)21-11)12-4-2-6-23-12/h1-7H,8H2,(H2,16,19)(H,18,22)(H2,17,20,21)	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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35776 (triazine-4-carboxamide, 8) Show SMILES Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1 Show InChI InChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50294502 (2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carbox...) Show SMILES Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20)	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R+D) Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor				Bioorg Med Chem Lett 19: 2664-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.142 BindingDB Entry DOI: 10.7270/Q2RF5V1M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35840 (pyrimidine-4-carboxamide, 122) Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1 Show InChI InChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144842 ((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...) Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12 Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35782 (triazine-4-carboxamide, 14) Show SMILES COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1 Show InChI InChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35810 (pyrimidine-4-carboxamide, 70) Show SMILES Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C Show InChI InChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001915 (1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...) Show SMILES Clc1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd Curated by ChEMBL					Assay Description Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line				Bioorg Med Chem Lett 14: 2367-70 (2004) Article DOI: 10.1016/j.bmcl.2003.05.001 BindingDB Entry DOI: 10.7270/Q22B8XG5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35806 (pyrimidine-4-carboxamide, 62) Show SMILES Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1 Show InChI InChI=1S/C18H16FN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...				Bioorg Med Chem 17: 6590-605 (2009) Article DOI: 10.1016/j.bmc.2009.07.078 BindingDB Entry DOI: 10.7270/Q27M069H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001915 (1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...) Show SMILES Clc1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair

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