Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'modugno' and Initial = 'm'   

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))	BDBM50187566 (4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-7-13(8-10-14)16(22)19-17-21-20-15(23-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187573 (3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...) Show SMILES Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,(H3,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187573 (3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...) Show SMILES Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,(H3,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187569 (4-(4-iodobenzylidene)-1-(4-iodophenyl)pyrazolidine...) Show SMILES Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4| Show InChI InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142887 (1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...) Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	500	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145415 (1-(2-chloro-2-phenylethyl)-N,N-diethyl-6-(methylth...) Show SMILES CCN(CC)c1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C18H22ClN5S/c1-4-23(5-2)16-14-11-20-24(17(14)22-18(21-16)25-3)12-15(19)13-9-7-6-8-10-13/h6-11,15H,4-5,12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187579 (4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(...) Show SMILES Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11| Show InChI InChI=1S/C17H10BrIN2O4/c18-13-7-15-14(24-8-25-15)6-9(13)5-12-16(22)20-21(17(12)23)11-3-1-10(19)2-4-11/h1-7H,8H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187575 (4-benzylidene-1-(4-iodophenyl)pyrazolidine-3,5-dio...) Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13| Show InChI InChI=1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142882 (Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl...) Show SMILES CCCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C19H24ClN5S/c1-3-5-11-21-17-15-12-22-25(18(15)24-19(23-17)26-4-2)13-16(20)14-9-7-6-8-10-14/h6-10,12,16H,3-5,11,13H2,1-2H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145425 (1-(2-chloro-2-phenylethyl)-6-(ethylthio)-N-propyl-...) Show SMILES CCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C18H22ClN5S/c1-3-10-20-16-14-11-21-24(17(14)23-18(22-16)25-4-2)12-15(19)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142880 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-phenet...) Show SMILES CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5S/c1-29-22-26-20(24-13-12-16-8-4-2-5-9-16)18-14-25-28(21(18)27-22)15-19(23)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3,(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187569 (4-(4-iodobenzylidene)-1-(4-iodophenyl)pyrazolidine...) Show SMILES Ic1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)cc1 |w:5.4| Show InChI InChI=1S/C16H10I2N2O2/c17-11-3-1-10(2-4-11)9-14-15(21)19-20(16(14)22)13-7-5-12(18)6-8-13/h1-9H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183364 (1-(2-bromo-2-phenylethyl)-N-propyl-1H-pyrazolo[3,4...) Show SMILES CCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12 Show InChI InChI=1S/C16H18BrN5/c1-2-8-18-15-13-9-21-22(16(13)20-11-19-15)10-14(17)12-6-4-3-5-7-12/h3-7,9,11,14H,2,8,10H2,1H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187570 (4-(2-(benzyloxy)benzylidene)-1-phenylpyrazolidine-...) Show SMILES O=C1NN(C(=O)C1=Cc1ccccc1OCc1ccccc1)c1ccccc1 |w:7.8| Show InChI InChI=1S/C23H18N2O3/c26-22-20(23(27)25(24-22)19-12-5-2-6-13-19)15-18-11-7-8-14-21(18)28-16-17-9-3-1-4-10-17/h1-15H,16H2,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187574 (4-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen...) Show SMILES Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H19ClN2O3/c1-13-5-7-17(10-15(13)3)26-23(28)19(22(27)25-26)12-18-8-9-21(29-18)16-6-4-14(2)20(24)11-16/h4-12H,1-3H3,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187572 (4-(3-(benzyloxy)benzylidene)-1-(3,4-dichlorophenyl...) Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H16Cl2N2O3/c24-20-10-9-17(13-21(20)25)27-23(29)19(22(28)26-27)12-16-7-4-8-18(11-16)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187577 (4-(4-(diethylamino)-2-hydroxybenzylidene)-1-(4-iod...) Show SMILES CCN(CC)c1ccc(C=C2C(=O)NN(C2=O)c2ccc(I)cc2)c(O)c1 |w:9.8| Show InChI InChI=1S/C20H20IN3O3/c1-3-23(4-2)16-8-5-13(18(25)12-16)11-17-19(26)22-24(20(17)27)15-9-6-14(21)7-10-15/h5-12,25H,3-4H2,1-2H3,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187568 (2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)...) Show SMILES Clc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3OS/c18-12-7-8-13(14(19)10-12)16(23)20-17-22-21-15(24-17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187565 (2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183338 (1-(2-bromo-2-phenylethyl)-4-(piperidin-1-yl)-1H-py...) Show SMILES BrC(Cn1ncc2c(ncnc12)N1CCCCC1)c1ccccc1 Show InChI InChI=1S/C18H20BrN5/c19-16(14-7-3-1-4-8-14)12-24-18-15(11-22-24)17(20-13-21-18)23-9-5-2-6-10-23/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142889 (Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfany...) Show SMILES CCCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C18H22ClN5S/c1-3-4-10-20-16-14-11-21-24(17(14)23-18(22-16)25-2)12-15(19)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187576 (BAS-4844343 | CHEMBL207672 | N-(5-((1H-indol-3-yl)...) Show SMILES COc1ccc(cc1)C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 Show InChI InChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.90E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187565 (2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-5-4-8-13(14)16(22)19-17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187571 (2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thia...) Show SMILES COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183356 (CHEMBL203492 | N-benzyl-1-styryl-1H-pyrazolo[3,4-d...) Show SMILES C(Nc1ncnc2n(\C=C/c3ccccc3)ncc12)c1ccccc1 Show InChI InChI=1S/C20H17N5/c1-3-7-16(8-4-1)11-12-25-20-18(14-24-25)19(22-15-23-20)21-13-17-9-5-2-6-10-17/h1-12,14-15H,13H2,(H,21,22,23)/b12-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142884 (1-(2-Chloro-2-phenyl-ethyl)-6-methylsulfanyl-4-pip...) Show SMILES CSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C19H22ClN5S/c1-26-19-22-17(24-10-6-3-7-11-24)15-12-21-25(18(15)23-19)13-16(20)14-8-4-2-5-9-14/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183355 (2-(4-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-y...) Show SMILES OC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1 Show InChI InChI=1S/C20H19N5O/c26-18(16-9-5-2-6-10-16)13-25-20-17(12-24-25)19(22-14-23-20)21-11-15-7-3-1-4-8-15/h1-10,12,14,18,26H,11,13H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183347 (2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-...) Show SMILES OC(Cn1ncc2c(NCCc3ccccc3)ncnc12)c1ccccc1 Show InChI InChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187579 (4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-1-(...) Show SMILES Brc1cc2OCOc2cc1C=C1C(=O)NN(C1=O)c1ccc(I)cc1 |w:10.11| Show InChI InChI=1S/C17H10BrIN2O4/c18-13-7-15-14(24-8-25-15)6-9(13)5-12-16(22)20-21(17(12)23)11-3-1-10(19)2-4-11/h1-7H,8H2,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183345 (1-(2-bromo-2-phenylethyl)-N-(2-ethoxyethyl)-1H-pyr...) Show SMILES CCOCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12 Show InChI InChI=1S/C17H20BrN5O/c1-2-24-9-8-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-6-4-3-5-7-13/h3-7,10,12,15H,2,8-9,11H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183351 (1-(2-bromo-2-phenylethyl)-N-isopropyl-1H-pyrazolo[...) Show SMILES CC(C)Nc1ncnc2n(CC(Br)c3ccccc3)ncc12 Show InChI InChI=1S/C16H18BrN5/c1-11(2)21-15-13-8-20-22(16(13)19-10-18-15)9-14(17)12-6-4-3-5-7-12/h3-8,10-11,14H,9H2,1-2H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183336 (1-(2-bromo-2-phenylethyl)-N-butyl-1H-pyrazolo[3,4-...) Show SMILES CCCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12 Show InChI InChI=1S/C17H20BrN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145411 (1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-propyl...) Show SMILES CCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C17H20ClN5S/c1-3-9-19-15-13-10-20-23(16(13)22-17(21-15)24-2)11-14(18)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187578 (BAS-0338868 | CHEMBL378903 | N-(5-phenethyl-1,3,4-...) Show SMILES O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1 Show InChI InChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17-20-19-15(22-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183342 (CHEMBL382153 | N-benzyl-1-(2-bromo-2-phenylethyl)-...) Show SMILES BrC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1 Show InChI InChI=1S/C20H18BrN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142890 (1-(2-Chloro-2-phenyl-ethyl)-6-ethylsulfanyl-4-morp...) Show SMILES CCSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C19H22ClN5OS/c1-2-27-19-22-17(24-8-10-26-11-9-24)15-12-21-25(18(15)23-19)13-16(20)14-6-4-3-5-7-14/h3-7,12,16H,2,8-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142885 (Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...) Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187571 (2-methoxy-4-(methylthio)-N-(5-phenethyl-1,3,4-thia...) Show SMILES COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.10E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187575 (4-benzylidene-1-(4-iodophenyl)pyrazolidine-3,5-dio...) Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccccc2)C1=O |w:12.13| Show InChI InChI=1S/C16H11IN2O2/c17-12-6-8-13(9-7-12)19-16(21)14(15(20)18-19)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187574 (4-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylen...) Show SMILES Cc1ccc(cc1C)N1NC(=O)C(=Cc2ccc(o2)-c2ccc(C)c(Cl)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H19ClN2O3/c1-13-5-7-17(10-15(13)3)26-23(28)19(22(27)25-26)12-18-8-9-21(29-18)16-6-4-14(2)20(24)11-16/h4-12H,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50187572 (4-(3-(benzyloxy)benzylidene)-1-(3,4-dichlorophenyl...) Show SMILES Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O |w:13.14| Show InChI InChI=1S/C23H16Cl2N2O3/c24-20-10-9-17(13-21(20)25)27-23(29)19(22(28)26-27)12-16-7-4-8-18(11-16)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	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 Binding affinity to human recombinant Src				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142879 (1-(2-Chloro-2-phenyl-ethyl)-6-methylsulfanyl-4-mor...) Show SMILES CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C18H20ClN5OS/c1-26-18-21-16(23-7-9-25-10-8-23)14-11-20-24(17(14)22-18)12-15(19)13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145423 (Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfany...) Show SMILES CCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22ClN5S/c1-2-29-22-26-20(24-13-16-9-5-3-6-10-16)18-14-25-28(21(18)27-22)15-19(23)17-11-7-4-8-12-17/h3-12,14,19H,2,13,15H2,1H3,(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50145413 (1-(2-Chloro-2-phenyl-ethyl)-6-ethylsulfanyl-4-pipe...) Show SMILES CCSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C20H24ClN5S/c1-2-27-20-23-18(25-11-7-4-8-12-25)16-13-22-26(19(16)24-20)14-17(21)15-9-5-3-6-10-15/h3,5-6,9-10,13,17H,2,4,7-8,11-12,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183370 (CHEMBL381279 | N-cyclopropyl-1-styryl-1H-pyrazolo[...) Show SMILES C1CC1Nc1ncnc2n(\C=C/c3ccccc3)ncc12 Show InChI InChI=1S/C16H15N5/c1-2-4-12(5-3-1)8-9-21-16-14(10-19-21)15(17-11-18-16)20-13-6-7-13/h1-5,8-11,13H,6-7H2,(H,17,18,20)/b9-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183352 (1-(2-bromo-2-phenylethyl)-4-(pyrrolidin-1-yl)-1H-p...) Show SMILES BrC(Cn1ncc2c(ncnc12)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C17H18BrN5/c18-15(13-6-2-1-3-7-13)11-23-17-14(10-21-23)16(19-12-20-17)22-8-4-5-9-22/h1-3,6-7,10,12,15H,4-5,8-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+3	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183354 (CHEMBL425046 | N-cyclohexyl-1-styryl-1H-pyrazolo[3...) Show SMILES C1CCC(CC1)Nc1ncnc2n(\C=C/c3ccccc3)ncc12 Show InChI InChI=1S/C19H21N5/c1-3-7-15(8-4-1)11-12-24-19-17(13-22-24)18(20-14-21-19)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,20,21,23)/b12-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187580 (4-(4-morpholinobenzylidene)-1-(4-iodophenyl)pyrazo...) Show SMILES Ic1ccc(cc1)N1NC(=O)C(=Cc2ccc(cc2)N2CCOCC2)C1=O |w:12.13| Show InChI InChI=1S/C20H18IN3O3/c21-15-3-7-17(8-4-15)24-20(26)18(19(25)22-24)13-14-1-5-16(6-2-14)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+4	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50183359 (4-(2,6-dimethylmorpholino)-6-(ethylthio)-1-styryl-...) Show SMILES CCSc1nc(N2CC(C)OC(C)C2)c2cnn(\C=C/c3ccccc3)c2n1 Show InChI InChI=1S/C21H25N5OS/c1-4-28-21-23-19(25-13-15(2)27-16(3)14-25)18-12-22-26(20(18)24-21)11-10-17-8-6-5-7-9-17/h5-12,15-16H,4,13-14H2,1-3H3/b11-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	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 Inhibitory activity against Src in cell free assay				J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187567 (1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-phenylurea | ...) Show SMILES O=C(Nc1nnc(Cc2ccccc2)s1)Nc1ccccc1 Show InChI InChI=1S/C16H14N4OS/c21-15(17-13-9-5-2-6-10-13)18-16-20-19-14(22-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	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 Binding affinity to human recombinant Abl				J Med Chem 49: 3278-86 (2006) Article DOI: 10.1021/jm060236z BindingDB Entry DOI: 10.7270/Q2TH8M9R
					More data for this Ligand-Target Pair

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