Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 9484   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM142598 (US10238658, Example Reference | US10813932, Refere...) Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM161376 (US10238658, Example 1 | US10813932, Example 1 | US...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM142598 (US10238658, Example Reference | US10813932, Refere...) Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM161376 (US10238658, Example 1 | US10813932, Example 1 | US...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM142598 (US10238658, Example Reference | US10813932, Refere...) Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM161376 (US10238658, Example 1 | US10813932, Example 1 | US...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM161376 (US10238658, Example 1 | US10813932, Example 1 | US...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM142598 (US10238658, Example Reference | US10813932, Refere...) Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1 Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Respivert Limited US Patent					Assay Description c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashio...				US Patent US10813932 (2020) BindingDB Entry DOI: 10.7270/Q2D79FGT
					More data for this Ligand-Target Pair