Compile Data Set for Download or QSAR

Found 507 hits with Last Name = 'brullo' and Initial = 'c'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50436581 (CHEMBL2397805) Show SMILES ClC(Cn1ncc2c(NCc3ccccc3Cl)ncnc12)c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrCl2N5/c21-15-7-5-13(6-8-15)18(23)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-17(14)22/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176833 (CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176833 (CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50102904 (CHEMBL3394091) Show SMILES Oc1cccc(Nc2nc(SC3CCCC3)nc3n(CC(Cl)c4ccccc4)ncc23)c1 Show InChI InChI=1S/C24H24ClN5OS/c25-21(16-7-2-1-3-8-16)15-30-23-20(14-26-30)22(27-17-9-6-10-18(31)13-17)28-24(29-23)32-19-11-4-5-12-19/h1-3,6-10,13-14,19,21,31H,4-5,11-12,15H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP				J Med Chem 58: 347-61 (2015) Article DOI: 10.1021/jm5013159 BindingDB Entry DOI: 10.7270/Q2416ZTT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176833 (CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176835 (CHEMBL223871 | ethyl 4-(4-methoxyphenethylamino)-1...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50102908 (CHEMBL3393071) Show SMILES CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5OS/c1-14(2)30-22-26-20(25-16-9-6-10-17(29)11-16)18-12-24-28(21(18)27-22)13-19(23)15-7-4-3-5-8-15/h3-12,14,19,29H,13H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP				J Med Chem 58: 347-61 (2015) Article DOI: 10.1021/jm5013159 BindingDB Entry DOI: 10.7270/Q2416ZTT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176815 (CHEMBL225398 | ethyl 4-(4-fluorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1 Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl by filter-binding assay				Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (BOVINE)	BDBM50176838 (1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...) Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1 Show InChI InChI=1S/C25H25ClN4O2/c1-17-8-10-18(11-9-17)12-13-27-23-20-15-29-30(16-22(26)19-6-4-3-5-7-19)24(20)28-14-21(23)25(31)32-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176815 (CHEMBL225398 | ethyl 4-(4-fluorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1 Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176842 (CHEMBL224620 | ethyl 4-(2-fluorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50354489 (CHEMBL1836680) Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176832 (CHEMBL224909 | ethyl 4-(4-chlorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50372736 (CHEMBL270492) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3F)ncnc12 |w:7.8| Show InChI InChI=1S/C20H16ClF2N5/c21-17(13-5-7-15(22)8-6-13)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-18(14)23/h1-8,10,12,17H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50436582 (CHEMBL2397804) Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Br)cc1 Show InChI InChI=1S/C20H16BrCl2N5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176855 (1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1 Show InChI InChI=1S/C26H27ClN4O2/c1-3-33-26(32)22-15-29-25-21(24(22)28-14-13-19-11-9-18(2)10-12-19)16-30-31(25)17-23(27)20-7-5-4-6-8-20/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176844 (CHEMBL389405 | isopropyl 1-(2-chloro-2-phenylethyl...) Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C Show InChI InChI=1S/C21H25ClN4O2/c1-4-10-23-19-16-12-25-26(13-18(22)15-8-6-5-7-9-15)20(16)24-11-17(19)21(27)28-14(2)3/h5-9,11-12,14,18H,4,10,13H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50354480 (CHEMBL1836678) Show SMILES CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H21N5S/c1-15(16-9-5-3-6-10-16)14-26-20-18(13-22-26)19(24-21(25-20)27-2)23-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176835 (CHEMBL223871 | ethyl 4-(4-methoxyphenethylamino)-1...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50354481 (CHEMBL1836679) Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176842 (CHEMBL224620 | ethyl 4-(2-fluorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50102872 (CHEMBL3394083) Show SMILES CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H18ClN5OS/c1-28-20-24-18(23-14-8-5-9-15(27)10-14)16-11-22-26(19(16)25-20)12-17(21)13-6-3-2-4-7-13/h2-11,17,27H,12H2,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP				J Med Chem 58: 347-61 (2015) Article DOI: 10.1021/jm5013159 BindingDB Entry DOI: 10.7270/Q2416ZTT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176849 (CHEMBL427255 | isopropyl 1-(2-chloro-2-phenylethyl...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C26H27ClN4O2/c1-18(2)33-26(32)22-15-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-23(27)20-11-7-4-8-12-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176828 (CHEMBL224097 | ethyl 4-(3-fluorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(F)c1 Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(27)13-17)15-30-31(24)16-22(26)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176840 (CHEMBL224083 | isopropyl 1-(2-chloro-2-phenylethyl...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1 Show InChI InChI=1S/C21H23ClN4O2/c1-13(2)28-21(27)17-10-23-20-16(19(17)25-15-8-9-15)11-24-26(20)12-18(22)14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,23,25)	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
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354485 (CHEMBL412298) Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354485 (CHEMBL412298) Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50101585 (CHEMBL3393986) Show SMILES Cl.Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C25H28N6O2S.ClH/c32-21-8-4-7-20(17-21)27-23-22-18-26-31(10-9-19-5-2-1-3-6-19)24(22)29-25(28-23)34-16-13-30-11-14-33-15-12-30;/h1-8,17-18,32H,9-16H2,(H,27,28,29);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP				J Med Chem 58: 347-61 (2015) Article DOI: 10.1021/jm5013159 BindingDB Entry DOI: 10.7270/Q2416ZTT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354485 (CHEMBL412298) Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15| Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176825 (CHEMBL389060 | isopropyl 4-(4-chlorophenethylamino...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C26H26Cl2N4O2/c1-17(2)34-26(33)22-14-30-25-21(24(22)29-13-12-18-8-10-20(27)11-9-18)15-31-32(25)16-23(28)19-6-4-3-5-7-19/h3-11,14-15,17,23H,12-13,16H2,1-2H3,(H,29,30)	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
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50050937 ((S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-b...) Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Displacement of [3H]-fMLP from FPR in human neutrophils				Bioorg Med Chem Lett 17: 3696-701 (2007) Article DOI: 10.1016/j.bmcl.2007.04.036 BindingDB Entry DOI: 10.7270/Q2R21261
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176839 (CHEMBL223821 | isopropyl 4-(2-chlorophenethylamino...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl Show InChI InChI=1S/C26H26Cl2N4O2/c1-17(2)34-26(33)21-14-30-25-20(24(21)29-13-12-19-10-6-7-11-22(19)27)15-31-32(25)16-23(28)18-8-4-3-5-9-18/h3-11,14-15,17,23H,12-13,16H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176848 (1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...) Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1 Show InChI InChI=1S/C27H29ClN4O2/c1-18(2)34-27(33)23-15-30-26-22(25(23)29-14-13-20-11-9-19(3)10-12-20)16-31-32(26)17-24(28)21-7-5-4-6-8-21/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176834 (CHEMBL224307 | cyclopropylmethyl 1-(2-chloro-2-phe...) Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)c(cnc12)C(=O)OCC1CC1)c1ccccc1 Show InChI InChI=1S/C27H27ClN4O2/c28-24(21-9-5-2-6-10-21)17-32-26-22(16-31-32)25(29-14-13-19-7-3-1-4-8-19)23(15-30-26)27(33)34-18-20-11-12-20/h1-10,15-16,20,24H,11-14,17-18H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50436570 (CHEMBL2397818) Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(I)cc1 Show InChI InChI=1S/C19H15ClIN5/c20-17(13-6-8-14(21)9-7-13)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176850 (CHEMBL223450 | sec-butyl 1-(2-chloro-2-phenylethyl...) Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)CC Show InChI InChI=1S/C22H27ClN4O2/c1-4-11-24-20-17-13-26-27(14-19(23)16-9-7-6-8-10-16)21(17)25-12-18(20)22(28)29-15(3)5-2/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50436590 (CHEMBL2397796) Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)c1 Show InChI InChI=1S/C20H16BrClFN5/c21-15-6-4-14(5-7-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(23)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50436571 (CHEMBL2397817) Show SMILES Cc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C20H18ClN5/c1-14-7-9-15(10-8-14)18(21)12-26-20-17(11-24-26)19(22-13-23-20)25-16-5-3-2-4-6-16/h2-11,13,18H,12H2,1H3,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176843 (CHEMBL374620 | sec-butyl 1-(2-chloro-2-phenylethyl...) Show SMILES CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 Show InChI InChI=1S/C27H29ClN4O2/c1-3-19(2)34-27(33)23-16-30-26-22(25(23)29-15-14-20-10-6-4-7-11-20)17-31-32(26)18-24(28)21-12-8-5-9-13-21/h4-13,16-17,19,24H,3,14-15,18H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176852 (1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...) Show SMILES Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1 Show InChI InChI=1S/C28H29ClN4O2/c1-19-7-9-20(10-8-19)13-14-30-26-23-16-32-33(17-25(29)22-5-3-2-4-6-22)27(23)31-15-24(26)28(34)35-18-21-11-12-21/h2-10,15-16,21,25H,11-14,17-18H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354484 (CHEMBL1629808) Show SMILES CSc1nc(NCc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H19BrClN5S/c1-29-21-26-19(24-11-14-6-5-9-16(22)10-14)17-12-25-28(20(17)27-21)13-18(23)15-7-3-2-4-8-15/h2-10,12,18H,11,13H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50102878 (CHEMBL3394082) Show SMILES Cl.CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H30N6O2S/c1-19(20-6-3-2-4-7-20)18-32-25-23(17-27-32)24(28-21-8-5-9-22(33)16-21)29-26(30-25)35-15-12-31-10-13-34-14-11-31/h2-9,16-17,19,33H,10-15,18H2,1H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ degli Studi di Siena Via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP				J Med Chem 58: 347-61 (2015) Article DOI: 10.1021/jm5013159 BindingDB Entry DOI: 10.7270/Q2416ZTT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50089575 (CHEMBL3578214) Show SMILES Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H15Cl2N5/c20-14-8-6-13(7-9-14)17-16-18(22)23-11-24-19(16)26(25-17)10-15(21)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analy...				J Med Chem 58: 4590-609 (2015) Article DOI: 10.1021/acs.jmedchem.5b00140 BindingDB Entry DOI: 10.7270/Q29025HZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50176847 (CHEMBL224313 | ethyl 4-(2-chlorophenethylamino)-1-...) Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-21(18)26)15-30-31(24)16-22(27)17-8-4-3-5-9-17/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 507 total )  |  Next  |  Last  >>

Jump to: