Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 8362   

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 Lyn (Homo sapiens (Human))	BDBM243041 (A-419259) Show SMILES CN1CCN(CC1)[C@H]1CCC(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wD:7.7,(26.44,-17.33,;25.67,-18.66,;25.16,-19.93,;25.3,-21.48,;23.96,-22.25,;24.33,-20.97,;24.33,-19.43,;22.48,-22.65,;22.48,-21.11,;21.14,-20.34,;19.81,-21.11,;19.81,-22.65,;21.14,-23.42,;18.32,-20.71,;19.23,-19.47,;18.32,-18.22,;18.8,-16.76,;20.3,-16.44,;20.78,-14.97,;19.75,-13.83,;20.22,-12.36,;21.73,-12.04,;22.76,-13.19,;24.27,-12.87,;24.74,-11.4,;23.71,-10.26,;22.21,-10.58,;18.24,-14.15,;17.77,-15.61,;16.86,-18.7,;15.52,-17.93,;15.52,-16.39,;14.19,-18.7,;14.19,-20.24,;15.52,-21.01,;16.86,-20.24,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	22
Ankara University					Assay Description Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...				J Enzyme Inhib Med Chem 28: 1080-7 (2013) Article DOI: 10.3109/14756366.2012.715288 BindingDB Entry DOI: 10.7270/Q2KD1WTX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50413999 (CGP77675 | CHEMBL475584) Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN3CCC(O)CC3)cc2)c2ncnc(N)c12 Show InChI InChI=1S/C26H29N5O2/c1-33-22-4-2-3-19(15-22)23-16-31(26-24(23)25(27)28-17-29-26)20-7-5-18(6-8-20)9-12-30-13-10-21(32)11-14-30/h2-8,15-17,21,32H,9-14H2,1H3,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	22
Ankara University					Assay Description Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...				J Enzyme Inhib Med Chem 28: 1080-7 (2013) Article DOI: 10.3109/14756366.2012.715288 BindingDB Entry DOI: 10.7270/Q2KD1WTX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	22
Ankara University					Assay Description Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...				J Enzyme Inhib Med Chem 28: 1080-7 (2013) Article DOI: 10.3109/14756366.2012.715288 BindingDB Entry DOI: 10.7270/Q2KD1WTX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM243040 (N-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyr...) Show SMILES Cc1ccc(s1)C(=O)NCc1c[nH]c2nc(N)[nH]c(=O)c12 Show InChI InChI=1S/C13H13N5O2S/c1-6-2-3-8(21-6)11(19)16-5-7-4-15-10-9(7)12(20)18-13(14)17-10/h2-4H,5H2,1H3,(H,16,19)(H4,14,15,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	22
Ankara University					Assay Description Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...				J Enzyme Inhib Med Chem 28: 1080-7 (2013) Article DOI: 10.3109/14756366.2012.715288 BindingDB Entry DOI: 10.7270/Q2KD1WTX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM243039 (N-((2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyr...) Show SMILES COc1ccc(CCCC(=O)NCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1OC Show InChI InChI=1S/C19H23N5O4/c1-27-13-7-6-11(8-14(13)28-2)4-3-5-15(25)21-9-12-10-22-17-16(12)18(26)24-19(20)23-17/h6-8,10H,3-5,9H2,1-2H3,(H,21,25)(H4,20,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	22
Ankara University					Assay Description Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Ki...				J Enzyme Inhib Med Chem 28: 1080-7 (2013) Article DOI: 10.3109/14756366.2012.715288 BindingDB Entry DOI: 10.7270/Q2KD1WTX
					More data for this Ligand-Target Pair