Compile Data Set for Download or QSAR

Found 437 hits with Last Name = 'chan' and Initial = 'x'   

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))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2A receptor				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173176 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C18H16N6O3/c19-15-17-22-16(14-2-1-9-27-14)23-24(17)10-13(21-15)18(26)20-8-7-11-3-5-12(25)6-4-11/h1-6,9-10,25H,7-8H2,(H2,19,21)(H,20,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173186 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES CCCCNC(=O)c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C14H16N6O2/c1-2-3-6-16-14(21)9-8-20-13(11(15)17-9)18-12(19-20)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173189 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C20H20N6O2/c1-3-25(4-2)20(27)14-8-5-7-13(11-14)15-12-26-19(17(21)22-15)23-18(24-26)16-9-6-10-28-16/h5-12H,3-4H2,1-2H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173201 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N6O2/c18-14-16-21-15(13-7-4-8-25-13)22-23(16)10-12(20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,20)(H,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	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	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2A receptor				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173179 (CHEMBL196104 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C25H22N8O2/c26-22-24-29-23(21-5-2-14-35-21)30-33(24)16-20(28-22)17-3-1-4-18(15-17)25(34)32-12-10-31(11-13-32)19-6-8-27-9-7-19/h1-9,14-16H,10-13H2,(H2,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173201 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C17H14N6O2/c18-14-16-21-15(13-7-4-8-25-13)22-23(16)10-12(20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,18,20)(H,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173188 (CHEMBL383568 | [4-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H18N6O3/c21-17-19-23-18(16-2-1-9-29-16)24-26(19)12-15(22-17)13-3-5-14(6-4-13)20(27)25-7-10-28-11-8-25/h1-6,9,12H,7-8,10-11H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173200 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES CN(Cc1ccccc1)C(=O)c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c1-23(10-12-6-3-2-4-7-12)18(25)13-11-24-17(15(19)20-13)21-16(22-24)14-8-5-9-26-14/h2-9,11H,10H2,1H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173182 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C19H18N6O2/c20-16-18-23-17(15-9-5-11-27-15)24-25(18)12-14(22-16)19(26)21-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173192 (4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C24H20N6O3/c25-21-23-28-22(20-2-1-13-33-20)29-30(23)14-19(27-21)16-5-7-17(8-6-16)24(32)26-12-11-15-3-9-18(31)10-4-15/h1-10,13-14,31H,11-12H2,(H2,25,27)(H,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173189 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C20H20N6O2/c1-3-25(4-2)20(27)14-8-5-7-13(11-14)15-12-26-19(17(21)22-15)23-18(24-26)16-9-6-10-28-16/h5-12H,3-4H2,1-2H3,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336589 (3-(4-bromophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...) Show SMILES Brc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C21H9BrN2OS/c22-11-4-6-12(7-5-11)26-17-9-8-14-18-13(17)2-1-3-15(18)20-19(14)16(10-23)21(25)24-20/h1-9H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336576 (3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...) Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1 Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to Mcl-1				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336576 (3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...) Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1 Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173177 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c1-23(2)18(25)12-6-3-5-11(9-12)13-10-24-17(15(19)20-13)21-16(22-24)14-7-4-8-26-14/h3-10H,1-2H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173202 (1-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]p...) Show SMILES CC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C17H13N5O2/c1-10(23)11-4-2-5-12(8-11)13-9-22-17(15(18)19-13)20-16(21-22)14-6-3-7-24-14/h2-9H,1H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336586 (3-(4-isopropylthiophenol)-8-oxo-8H-acenaphtho[1,2-...) Show SMILES CC(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2OS/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336587 (3-(4-N,N-dimethylaminophenylthio)-8-oxo-8H-acenaph...) Show SMILES CN(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C23H15N3OS/c1-26(2)13-6-8-14(9-7-13)28-19-11-10-16-20-15(19)4-3-5-17(20)22-21(16)18(12-24)23(27)25-22/h3-11H,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173180 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C16H12N6O2/c17-13-16-20-15(12-5-2-6-24-12)21-22(16)8-11(19-13)9-3-1-4-10(7-9)14(18)23/h1-8H,(H2,17,19)(H2,18,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173210 (2-Furan-2-yl-6-(3-methanesulfonyl-phenyl)-[1,2,4]t...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C16H13N5O3S/c1-25(22,23)11-5-2-4-10(8-11)12-9-21-16(14(17)18-12)19-15(20-21)13-6-3-7-24-13/h2-9H,1H3,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173177 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c1-23(2)18(25)12-6-3-5-11(9-12)13-10-24-17(15(19)20-13)21-16(22-24)14-7-4-8-26-14/h3-10H,1-2H3,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173186 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES CCCCNC(=O)c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C14H16N6O2/c1-2-3-6-16-14(21)9-8-20-13(11(15)17-9)18-12(19-20)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17)(H,16,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336581 (CHEMBL1672072 | N,N-dimethylamino-3-(4-N,N-dimethy...) Show SMILES CN(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C23H15N3O2/c1-26(2)13-6-8-14(9-7-13)28-19-11-10-16-20-15(19)4-3-5-17(20)22-21(16)18(12-24)23(27)25-22/h3-11H,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173181 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C19H18N6O2/c1-11(2)21-19(26)13-6-3-5-12(9-13)14-10-25-18(16(20)22-14)23-17(24-25)15-7-4-8-27-15/h3-11H,1-2H3,(H2,20,22)(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173212 (6-(3-Dimethylamino-phenyl)-2-furan-2-yl-[1,2,4]tri...) Show SMILES CN(C)c1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C17H16N6O/c1-22(2)12-6-3-5-11(9-12)13-10-23-17(15(18)19-13)20-16(21-23)14-7-4-8-24-14/h3-10H,1-2H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336585 (3-(4-methoxyphenylthio)-8-oxo-8H-acenaphtho[1,2-b]...) Show SMILES COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C22H12N2O2S/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173174 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C#N Show InChI InChI=1S/C16H10N6O/c17-8-10-3-1-4-11(7-10)12-9-22-16(14(18)19-12)20-15(21-22)13-5-2-6-23-13/h1-7,9H,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173197 (CHEMBL370880 | N-[3-(8-Amino-2-furan-2-yl-[1,2,4]t...) Show SMILES CC(=O)Nc1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-12-5-2-4-11(8-12)13-9-23-17(15(18)20-13)21-16(22-23)14-6-3-7-25-14/h2-9H,1H3,(H2,18,20)(H,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173200 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES CN(Cc1ccccc1)C(=O)c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C18H16N6O2/c1-23(10-12-6-3-2-4-7-12)18(25)13-11-24-17(15(19)20-13)21-16(22-24)14-8-5-9-26-14/h2-9,11H,10H2,1H3,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173190 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C24H20N6O3/c25-21-23-28-22(20-5-2-12-33-20)29-30(23)14-19(27-21)16-3-1-4-17(13-16)24(32)26-11-10-15-6-8-18(31)9-7-15/h1-9,12-14,31H,10-11H2,(H2,25,27)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173204 (2-Furan-2-yl-6-(3-trifluoromethyl-phenyl)-[1,2,4]t...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H10F3N5O/c17-16(18,19)10-4-1-3-9(7-10)11-8-24-15(13(20)21-11)22-14(23-24)12-5-2-6-25-12/h1-8H,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173182 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C19H18N6O2/c20-16-18-23-17(15-9-5-11-27-15)24-25(18)12-14(22-16)19(26)21-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173187 (CHEMBL194693 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H18N6O3/c21-17-19-23-18(16-5-2-8-29-16)24-26(19)12-15(22-17)13-3-1-4-14(11-13)20(27)25-6-9-28-10-7-25/h1-5,8,11-12H,6-7,9-10H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173175 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H21N7O2/c22-18-20-24-19(17-7-4-12-30-17)25-28(20)14-16(23-18)21(29)27-10-8-26(9-11-27)13-15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173187 (CHEMBL194693 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H18N6O3/c21-17-19-23-18(16-5-2-8-29-16)24-26(19)12-15(22-17)13-3-1-4-14(11-13)20(27)25-6-9-28-10-7-25/h1-5,8,11-12H,6-7,9-10H2,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173185 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCOCC1 Show InChI InChI=1S/C14H14N6O3/c15-11-13-17-12(10-2-1-5-23-10)18-20(13)8-9(16-11)14(21)19-3-6-22-7-4-19/h1-2,5,8H,3-4,6-7H2,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173217 (2-Furan-2-yl-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc2cccnc12 Show InChI InChI=1S/C18H12N6O/c19-16-18-22-17(14-7-3-9-25-14)23-24(18)10-13(21-16)12-6-1-4-11-5-2-8-20-15(11)12/h1-10H,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173175 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H21N7O2/c22-18-20-24-19(17-7-4-12-30-17)25-28(20)14-16(23-18)21(29)27-10-8-26(9-11-27)13-15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173193 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C19H18N8O2/c20-16-18-23-17(15-2-1-11-29-15)24-27(18)12-14(22-16)19(28)26-9-7-25(8-10-26)13-3-5-21-6-4-13/h1-6,11-12H,7-10H2,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173190 (3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C24H20N6O3/c25-21-23-28-22(20-5-2-12-33-20)29-30(23)14-19(27-21)16-3-1-4-17(13-16)24(32)26-11-10-15-6-8-18(31)9-7-15/h1-9,12-14,31H,10-11H2,(H2,25,27)(H,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173196 (CHEMBL194244 | [3-(8-Amino-2-furan-2-yl-[1,2,4]tri...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1cccc(c1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H25N7O2/c28-24-26-30-25(23-10-5-15-36-23)31-34(26)18-22(29-24)20-8-4-9-21(16-20)27(35)33-13-11-32(12-14-33)17-19-6-2-1-3-7-19/h1-10,15-16,18H,11-14,17H2,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173185 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCOCC1 Show InChI InChI=1S/C14H14N6O3/c15-11-13-17-12(10-2-1-5-23-10)18-20(13)8-9(16-11)14(21)19-3-6-22-7-4-19/h1-2,5,8H,3-4,6-7H2,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173183 (4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyra...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)-c1ccc(cc1)C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C22H20N8O2/c23-19-21-27-20(18-3-1-12-32-18)28-30(21)13-17(26-19)15-4-6-16(7-5-15)22(31)25-8-2-10-29-11-9-24-14-29/h1,3-7,9,11-14H,2,8,10H2,(H2,23,26)(H,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50173193 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C19H18N8O2/c20-16-18-23-17(15-2-1-11-29-15)24-27(18)12-14(22-16)19(28)26-9-7-25(8-10-26)13-3-5-21-6-4-13/h1-6,11-12H,7-10H2,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX compared to SCH-58261 (Ki=390 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336579 (3-(4-methoxyphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyr...) Show SMILES COc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C22H12N2O3/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50173211 (2-Furan-2-yl-6-(3-methoxy-phenyl)-[1,2,4]triazolo[...) Show SMILES COc1cccc(c1)-c1cn2nc(nc2c(N)n1)-c1ccco1 Show InChI InChI=1S/C16H13N5O2/c1-22-11-5-2-4-10(8-11)12-9-21-16(14(17)18-12)19-15(20-21)13-6-3-7-23-13/h2-9H,1H3,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair

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