Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'fenn' 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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096495 (CHEMBL85161 | N-{3-[Bis-(3-phenyl-propyl)-amino]-p...) Show SMILES C(CCN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C55H76N4/c1-6-25-51(26-7-1)35-18-40-56-41-23-48-57(44-19-36-52-27-8-2-9-28-52)42-16-17-43-58(45-20-37-53-29-10-3-11-30-53)49-24-50-59(46-21-38-54-31-12-4-13-32-54)47-22-39-55-33-14-5-15-34-55/h1-15,25-34,56H,16-24,35-50H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096500 (CHEMBL86281 | N,N'-Bis-(3-phenyl-propyl)-N,N'-bis-...) Show SMILES C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C46H66N4/c1-5-21-43(22-6-1)29-15-33-47-35-19-41-49(39-17-31-45-25-9-3-10-26-45)37-13-14-38-50(40-18-32-46-27-11-4-12-28-46)42-20-36-48-34-16-30-44-23-7-2-8-24-44/h1-12,21-28,47-48H,13-20,29-42H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096491 (CHEMBL85189 | N-(3-Amino-propyl)-N,N'-bis-(3-pheny...) Show SMILES NCCCN(CCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C37H56N4/c38-26-15-33-40(31-13-24-36-19-6-2-7-20-36)29-10-11-30-41(32-14-25-37-21-8-3-9-22-37)34-16-28-39-27-12-23-35-17-4-1-5-18-35/h1-9,17-22,39H,10-16,23-34,38H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096496 (CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(...) Show SMILES NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C28H46N4/c29-19-11-25-31(23-9-17-27-13-3-1-4-14-27)21-7-8-22-32(26-12-20-30)24-10-18-28-15-5-2-6-16-28/h1-6,13-16H,7-12,17-26,29-30H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096493 (CHEMBL82641 | N,N'-Bis-(3-phenyl-propyl)-N-[3-(3-p...) Show SMILES C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CNCCCc1ccccc1 Show InChI InChI=1S/C34H49N3/c1-4-16-32(17-5-1)22-12-26-35-25-10-11-29-37(30-14-24-34-20-8-3-9-21-34)31-15-28-36-27-13-23-33-18-6-2-7-19-33/h1-9,16-21,35-36H,10-15,22-31H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096492 (CHEMBL84221 | N-{3-[Bis-(3-phenyl-propyl)-amino]-p...) Show SMILES C(CCNCCCN(CCCc1ccccc1)CCCc1ccccc1)CNCCCNCCCc1ccccc1 Show InChI InChI=1S/C37H56N4/c1-4-17-35(18-5-1)23-12-28-40-30-15-29-38-26-10-11-27-39-31-16-34-41(32-13-24-36-19-6-2-7-20-36)33-14-25-37-21-8-3-9-22-37/h1-9,17-22,38-40H,10-16,23-34H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096501 (CHEMBL85198 | N*1*-(3-Phenyl-propyl)-N*1*-[3-(3-ph...) Show SMILES NCCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C25H39N3/c26-18-7-8-21-28(22-10-17-25-14-5-2-6-15-25)23-11-20-27-19-9-16-24-12-3-1-4-13-24/h1-6,12-15,27H,7-11,16-23,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096494 (CHEMBL310207 | N,N'-Bis-{3-[bis-(3-phenyl-propyl)-...) Show SMILES C(CCN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1)CN(CCCN(CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C64H86N4/c1-7-29-59(30-8-1)41-21-49-65(55-27-57-67(51-23-43-61-33-11-3-12-34-61)52-24-44-62-35-13-4-14-36-62)47-19-20-48-66(50-22-42-60-31-9-2-10-32-60)56-28-58-68(53-25-45-63-37-15-5-16-38-63)54-26-46-64-39-17-6-18-40-64/h1-18,29-40H,19-28,41-58H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096498 (CHEMBL86096 | N,N'-Bis-[3-(3-phenyl-propylamino)-p...) Show SMILES C(CCNCCCNCCCc1ccccc1)CNCCCNCCCc1ccccc1 Show InChI InChI=1S/C28H46N4/c1-3-13-27(14-4-1)17-9-21-31-25-11-23-29-19-7-8-20-30-24-12-26-32-22-10-18-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096499 (CHEMBL85964 | N*1*-(3-Amino-propyl)-N*1*-(3-phenyl...) Show SMILES NCCCCN(CCCN)CCCc1ccccc1 Show InChI InChI=1S/C16H29N3/c17-11-4-5-13-19(15-7-12-18)14-6-10-16-8-2-1-3-9-16/h1-3,8-9H,4-7,10-15,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50096497 (CHEMBL85779 | N-(3-Amino-propyl)-N'-[3-(3-phenyl-p...) Show SMILES NCCCNCCCCNCCCNCCCc1ccccc1 Show InChI InChI=1S/C19H36N4/c20-12-7-16-21-13-4-5-14-22-17-8-18-23-15-6-11-19-9-2-1-3-10-19/h1-3,9-10,21-23H,4-8,11-18,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi				Bioorg Med Chem Lett 11: 251-4 (2001) BindingDB Entry DOI: 10.7270/Q2FQ9VVV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12255 (AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...) Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12241 (AZD0530 analogue 19 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCOc3ccncc3)cc(OC3CCOCC3)c12 Show InChI InChI=1S/C27H25ClN4O6/c28-20-1-2-22-26(37-16-36-22)25(20)32-27-24-21(30-15-31-27)13-19(14-23(24)38-18-5-9-33-10-6-18)35-12-11-34-17-3-7-29-8-4-17/h1-4,7-8,13-15,18H,5-6,9-12,16H2,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12252 (AZD0530 analogue 30 | N-(5-Chloro-1,3-benzodioxol-...) Show SMILES CC(C)Oc1cc(OCCCN2CCCC2)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12 Show InChI InChI=1S/C25H29ClN4O4/c1-16(2)34-21-13-17(31-11-5-10-30-8-3-4-9-30)12-19-22(21)25(28-14-27-19)29-23-18(26)6-7-20-24(23)33-15-32-20/h6-7,12-14,16H,3-5,8-11,15H2,1-2H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6211 (Benzodioxole deriv. 20 | N-(5-Bromo-1,3-benzodioxo...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Br)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C23H25BrN4O5/c1-29-19-11-15-17(12-20(19)31-8-2-5-28-6-9-30-10-7-28)25-13-26-23(15)27-21-16(24)3-4-18-22(21)33-14-32-18/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12247 (AZD0530 analogue 25 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES CN1CCN(CCCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C28H34ClN5O5/c1-33-8-10-34(11-9-33)7-2-12-36-20-15-22-25(24(16-20)39-19-5-13-35-14-6-19)28(31-17-30-22)32-26-21(29)3-4-23-27(26)38-18-37-23/h3-4,15-17,19H,2,5-14,18H2,1H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12243 (AZD0530 analogue 21 | N-(2-chloro-5-methoxyphenyl)...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCN(C)CC4)cc(OC4CCOCC4)c23)c1 Show InChI InChI=1S/C28H36ClN5O4/c1-33-9-11-34(12-10-33)8-3-13-37-22-17-25-27(26(18-22)38-20-6-14-36-15-7-20)28(31-19-30-25)32-24-16-21(35-2)4-5-23(24)29/h4-5,16-20H,3,6-15H2,1-2H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12237 (AZD0530 analogue 15 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCCN3CCCC3)cc(OC3CCOCC3)c12 Show InChI InChI=1S/C27H31ClN4O5/c28-20-4-5-22-26(36-17-35-22)25(20)31-27-24-21(29-16-30-27)14-19(34-11-3-10-32-8-1-2-9-32)15-23(24)37-18-6-12-33-13-7-18/h4-5,14-16,18H,1-3,6-13,17H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12231 (AZD0530 analogue 9 | N-(2-chloro-5-methoxyphenyl)-...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOC4)c23)c1 Show InChI InChI=1S/C26H31ClN4O5/c1-32-18-3-4-21(27)22(13-18)30-26-25-23(28-17-29-26)14-20(15-24(25)36-19-5-10-34-16-19)35-9-2-6-31-7-11-33-12-8-31/h3-4,13-15,17,19H,2,5-12,16H2,1H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6219 (BMCL182776 Compound 1 | Chlorobenzodioxole deriv. ...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCCCN1CCCCC1 Show InChI InChI=1S/C24H27ClN4O4/c1-30-20-12-16-18(13-21(20)31-11-5-10-29-8-3-2-4-9-29)26-14-27-24(16)28-22-17(25)6-7-19-23(22)33-15-32-19/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12250 (AZD0530 analogue 28 | N-(5-Chloro-1,3-benzodioxol-...) Show SMILES CN1CCC(CC1)Oc1cc(OCCF)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12 Show InChI InChI=1S/C23H24ClFN4O4/c1-29-7-4-14(5-8-29)33-19-11-15(30-9-6-25)10-17-20(19)23(27-12-26-17)28-21-16(24)2-3-18-22(21)32-13-31-18/h2-3,10-12,14H,4-9,13H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6210 (Benzodioxole deriv. 19 | N-(5-Chloro-1,3-benzodiox...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C23H25ClN4O5/c1-29-19-11-15-17(12-20(19)31-8-2-5-28-6-9-30-10-7-28)25-13-26-23(15)27-21-16(24)3-4-18-22(21)33-14-32-18/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6204 (Benzofuran deriv. 13 | N-(3-Chloro-1-benzofuran-7-...) Show SMILES COc1cc2c(Nc3cccc4c(Cl)coc34)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C24H25ClN4O4/c1-30-21-12-17-20(13-22(21)32-9-3-6-29-7-10-31-11-8-29)26-15-27-24(17)28-19-5-2-4-16-18(25)14-33-23(16)19/h2,4-5,12-15H,3,6-11H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6218 (AZD0530 analogue 34 | Chlorobenzodioxole deriv. 27...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C23H25ClN4O4/c1-28-7-5-14(6-8-28)11-30-20-10-17-15(9-19(20)29-2)23(26-12-25-17)27-21-16(24)3-4-18-22(21)32-13-31-18/h3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12253 (AZD0530 analogue 31 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES CC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12 Show InChI InChI=1S/C24H27ClN4O5/c1-15(2)34-20-12-16(31-10-7-29-5-8-30-9-6-29)11-18-21(20)24(27-13-26-18)28-22-17(25)3-4-19-23(22)33-14-32-19/h3-4,11-13,15H,5-10,14H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174932 (CHEMBL197287 | N-(2-chloro-5-methoxypyridin-3-yl)-...) Show SMILES COc1cnc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC(C)C)c23)c1 Show InChI InChI=1S/C24H30ClN5O4/c1-16(2)34-21-13-17(33-8-4-5-30-6-9-32-10-7-30)11-19-22(21)24(28-15-27-19)29-20-12-18(31-3)14-26-23(20)25/h11-16H,4-10H2,1-3H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12259 (AZD0530 analogue 37 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C23H25ClN4O4/c1-29-19-11-15-17(12-20(19)30-10-4-9-28-7-2-3-8-28)25-13-26-23(15)27-21-16(24)5-6-18-22(21)32-14-31-18/h5-6,11-13H,2-4,7-10,14H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174939 (CHEMBL424664 | N-(3-chloro-6-methoxypyridin-2-yl)-...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOCC4)c23)n1 Show InChI InChI=1S/C26H32ClN5O5/c1-33-23-4-3-20(27)25(30-23)31-26-24-21(28-17-29-26)15-19(16-22(24)37-18-5-11-34-12-6-18)36-10-2-7-32-8-13-35-14-9-32/h3-4,15-18H,2,5-14H2,1H3,(H,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6218 (AZD0530 analogue 34 | Chlorobenzodioxole deriv. 27...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C23H25ClN4O4/c1-28-7-5-14(6-8-28)11-30-20-10-17-15(9-19(20)29-2)23(26-12-25-17)27-21-16(24)3-4-18-22(21)32-13-31-18/h3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174934 (CHEMBL424839 | N-(3-chloro-6-methoxypyridin-2-yl)-...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCCC4)cc(OC(C)C)c23)n1 Show InChI InChI=1S/C24H30ClN5O3/c1-16(2)33-20-14-17(32-12-6-11-30-9-4-5-10-30)13-19-22(20)24(27-15-26-19)29-23-18(25)7-8-21(28-23)31-3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12238 (AZD0530 analogue 16 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCN3CCCC3)cc(OC3CCOCC3)c12 Show InChI InChI=1S/C26H29ClN4O5/c27-19-3-4-21-25(35-16-34-21)24(19)30-26-23-20(28-15-29-26)13-18(33-12-9-31-7-1-2-8-31)14-22(23)36-17-5-10-32-11-6-17/h3-4,13-15,17H,1-2,5-12,16H2,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12240 (AZD0530 analogue 18 | N-(5-Chloro-1,3-benzodioxol-...) Show SMILES CN1CCC(COc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H31ClN4O5/c1-32-8-4-17(5-9-32)14-34-19-12-21-24(23(13-19)37-18-6-10-33-11-7-18)27(30-15-29-21)31-25-20(28)2-3-22-26(25)36-16-35-22/h2-3,12-13,15,17-18H,4-11,14,16H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174935 (CHEMBL371688 | N-(3-chloro-6-methoxypyridin-2-yl)-...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCN4CCN(C)CC4)cc(OC(C)C)c23)n1 Show InChI InChI=1S/C24H31ClN6O3/c1-16(2)34-20-14-17(33-12-11-31-9-7-30(3)8-10-31)13-19-22(20)24(27-15-26-19)29-23-18(25)5-6-21(28-23)32-4/h5-6,13-16H,7-12H2,1-4H3,(H,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174929 (CHEMBL369899 | N-(2-chloro-5-methoxypyridin-3-yl)-...) Show SMILES COc1cnc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOCC4)c23)c1 Show InChI InChI=1S/C26H32ClN5O5/c1-33-20-14-22(25(27)28-16-20)31-26-24-21(29-17-30-26)13-19(15-23(24)37-18-3-9-34-10-4-18)36-8-2-5-32-6-11-35-12-7-32/h13-18H,2-12H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12251 (AZD0530 analogue 29 | N-(5-chloro-2H-1,3-benzodiox...) Show SMILES CC(C)COc1cc(OC2CCN(C)CC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 Show InChI InChI=1S/C25H29ClN4O4/c1-15(2)12-31-17-10-19-22(21(11-17)34-16-6-8-30(3)9-7-16)25(28-13-27-19)29-23-18(26)4-5-20-24(23)33-14-32-20/h4-5,10-11,13,15-16H,6-9,12,14H2,1-3H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174936 (1-(4-(2-(4-(3-chloro-6-methoxypyrazin-2-ylamino)-5...) Show SMILES COc1cnc(Cl)c(Nc2ncnc3cc(OCCN4CCN(CC4)C(C)=O)cc(OC(C)C)c23)n1 Show InChI InChI=1S/C24H30ClN7O4/c1-15(2)36-19-12-17(35-10-9-31-5-7-32(8-6-31)16(3)33)11-18-21(19)23(28-14-27-18)30-24-22(25)26-13-20(29-24)34-4/h11-15H,5-10H2,1-4H3,(H,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12246 (AZD0530 analogue 24 | N-(5-Chloro-1,3-benzodioxol-...) Show SMILES COc1cc(OC2CCNCC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 Show InChI InChI=1S/C21H21ClN4O4/c1-27-13-8-15-18(17(9-13)30-12-4-6-23-7-5-12)21(25-10-24-15)26-19-14(22)2-3-16-20(19)29-11-28-16/h2-3,8-10,12,23H,4-7,11H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6196 (Methoxy Aniline 5 | N-(2-Chloro-5-methoxyphenyl)-6...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1 Show InChI InChI=1S/C23H27ClN4O4/c1-29-16-4-5-18(24)20(12-16)27-23-17-13-21(30-2)22(14-19(17)25-15-26-23)32-9-3-6-28-7-10-31-11-8-28/h4-5,12-15H,3,6-11H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6202 (Benzofuran deriv. 11 | N-(6-Chloro-1-benzofuran-7-...) Show SMILES COc1cc2c(Nc3c(Cl)ccc4ccoc34)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C24H25ClN4O4/c1-30-20-13-17-19(14-21(20)32-9-2-6-29-7-11-31-12-8-29)26-15-27-24(17)28-22-18(25)4-3-16-5-10-33-23(16)22/h3-5,10,13-15H,2,6-9,11-12H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6198 (AZD0530 analogue 35 | M475271 | Methoxy Aniline 7 ...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-28-8-6-15(7-9-28)13-31-22-12-19-17(11-21(22)30-3)23(26-14-25-19)27-20-10-16(29-2)4-5-18(20)24/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174933 (1-(4-(2-(4-(3-chloro-6-methoxypyridin-2-ylamino)-5...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCN4CCN(CC4)C(C)=O)cc(OC(C)C)c23)n1 Show InChI InChI=1S/C25H31ClN6O4/c1-16(2)36-21-14-18(35-12-11-31-7-9-32(10-8-31)17(3)33)13-20-23(21)25(28-15-27-20)30-24-19(26)5-6-22(29-24)34-4/h5-6,13-16H,7-12H2,1-4H3,(H,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12229 (AZD0530 analogue 7 | CHEMBL200217 | N-(2-Chloro-5-...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOCC4)c23)c1 Show InChI InChI=1S/C27H33ClN4O5/c1-33-20-3-4-22(28)23(15-20)31-27-26-24(29-18-30-27)16-21(17-25(26)37-19-5-11-34-12-6-19)36-10-2-7-32-8-13-35-14-9-32/h3-4,15-19H,2,5-14H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6216 (Benzodioxole deriv. 25 | N-(5-Chloro-1,3-benzodiox...) Show SMILES Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCCN3CCOCC3)ccc12 Show InChI InChI=1S/C22H23ClN4O4/c23-17-4-5-19-21(31-14-30-19)20(17)26-22-16-3-2-15(12-18(16)24-13-25-22)29-9-1-6-27-7-10-28-11-8-27/h2-5,12-13H,1,6-11,14H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6198 (AZD0530 analogue 35 | M475271 | Methoxy Aniline 7 ...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-28-8-6-15(7-9-28)13-31-22-12-19-17(11-21(22)30-3)23(26-14-25-19)27-20-10-16(29-2)4-5-18(20)24/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6200 (Benzofuran deriv. 9 | N-(5-Chloro-1-benzofuran-4-y...) Show SMILES COc1cc2c(Nc3c(Cl)ccc4occc34)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C24H25ClN4O4/c1-30-21-13-17-19(14-22(21)32-9-2-6-29-7-11-31-12-8-29)26-15-27-24(17)28-23-16-5-10-33-20(16)4-3-18(23)25/h3-5,10,13-15H,2,6-9,11-12H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM12228 (AZD0530 analogue 6 | N-(5-chloro-2H-1,3-benzodioxo...) Show SMILES COc1cc(OC2CCN(C)CC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 Show InChI InChI=1S/C22H23ClN4O4/c1-27-7-5-13(6-8-27)31-18-10-14(28-2)9-16-19(18)22(25-11-24-16)26-20-15(23)3-4-17-21(20)30-12-29-17/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 49: 6465-88 (2006) Article DOI: 10.1021/jm060434q BindingDB Entry DOI: 10.7270/Q2J67F5X
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6220 (4-[({4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]-6...) Show SMILES COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCc1ccnc(c1)C#N Show InChI InChI=1S/C23H16ClN5O4/c1-30-19-7-15-17(8-20(19)31-10-13-4-5-26-14(6-13)9-25)27-11-28-23(15)29-21-16(24)2-3-18-22(21)33-12-32-18/h2-8,11H,10,12H2,1H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6209 (Benzodioxole deriv. 18 | N-(1,3-Benzodioxol-4-yl)-...) Show SMILES COc1cc2c(Nc3cccc4OCOc34)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C23H26N4O5/c1-28-20-12-16-18(13-21(20)30-9-3-6-27-7-10-29-11-8-27)24-14-25-23(16)26-17-4-2-5-19-22(17)32-15-31-19/h2,4-5,12-14H,3,6-11,15H2,1H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...				J Med Chem 47: 871-87 (2004) Article DOI: 10.1021/jm030317k BindingDB Entry DOI: 10.7270/Q2930RCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174942 (1-(4-(2-(4-(5-chloro-2-methoxypyrimidin-4-ylamino)...) Show SMILES COc1ncc(Cl)c(Nc2ncnc3cc(OCCN4CCN(CC4)C(C)=O)cc(OC(C)C)c23)n1 Show InChI InChI=1S/C24H30ClN7O4/c1-15(2)36-20-12-17(35-10-9-31-5-7-32(8-6-31)16(3)33)11-19-21(20)23(28-14-27-19)29-22-18(25)13-26-24(30-22)34-4/h11-15H,5-10H2,1-4H3,(H,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50174937 (CHEMBL198946 | N-(3-chloro-6-methoxypyridin-2-yl)-...) Show SMILES COc1ccc(Cl)c(Nc2ncnc3cc(OCCN4CCCC4)cc(OC(C)C)c23)n1 Show InChI InChI=1S/C23H28ClN5O3/c1-15(2)32-19-13-16(31-11-10-29-8-4-5-9-29)12-18-21(19)23(26-14-25-18)28-22-17(24)6-7-20(27-22)30-3/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against c-Src kinase				Bioorg Med Chem Lett 15: 5446-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.106 BindingDB Entry DOI: 10.7270/Q2765DWC
					More data for this Ligand-Target Pair

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