Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 6995   

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))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Ephrin type-A receptor 3 (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	17.7	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	25.2	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	26.1	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50430875 (CHEMBL2336005 | US9062066, LCB 03-0110) Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	50.7	n/a	n/a	n/a	n/a	8.0	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purifi...				US Patent US9062066 (2015) BindingDB Entry DOI: 10.7270/Q21G0K17
					More data for this Ligand-Target Pair