Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50027997   

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))	BDBM50247766 ((E)-N-(4-(Morpholin-4-yl)phenyl)-3-(5-((Z)-3-oxo-3...) Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)\C=C\c1ccc(\C=C2/Oc3ccccc3NC2=O)s1 Show InChI InChI=1S/C26H23N3O4S/c30-25(27-18-5-7-19(8-6-18)29-13-15-32-16-14-29)12-11-20-9-10-21(34-20)17-24-26(31)28-22-3-1-2-4-23(22)33-24/h1-12,17H,13-16H2,(H,27,30)(H,28,31)/b12-11+,24-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) expressed in baculovirus system by ELISA				Bioorg Med Chem 17: 699-708 (2009) Article DOI: 10.1016/j.bmc.2008.11.060 BindingDB Entry DOI: 10.7270/Q27M07TN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50247712 ((E)-N-((2-Dimethylamino)ethyl)-3-(3-((Z)-4-methyl-...) Show SMILES CN(C)CCNC(=O)\C=C\c1ccc(\C=C2/Oc3ccccc3N(C)C2=O)s1 Show InChI InChI=1S/C21H23N3O3S/c1-23(2)13-12-22-20(25)11-10-15-8-9-16(28-15)14-19-21(26)24(3)17-6-4-5-7-18(17)27-19/h4-11,14H,12-13H2,1-3H3,(H,22,25)/b11-10+,19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) expressed in baculovirus system by ELISA				Bioorg Med Chem 17: 699-708 (2009) Article DOI: 10.1016/j.bmc.2008.11.060 BindingDB Entry DOI: 10.7270/Q27M07TN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50247728 ((E)-3-(5-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1...) Show SMILES CN1C(=O)\C(Oc2ccccc12)=C\c1ccc(\C=C\C(=O)NCc2cccnc2)s1 Show InChI InChI=1S/C23H19N3O3S/c1-26-19-6-2-3-7-20(19)29-21(23(26)28)13-18-9-8-17(30-18)10-11-22(27)25-15-16-5-4-12-24-14-16/h2-14H,15H2,1H3,(H,25,27)/b11-10+,21-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) expressed in baculovirus system by ELISA				Bioorg Med Chem 17: 699-708 (2009) Article DOI: 10.1016/j.bmc.2008.11.060 BindingDB Entry DOI: 10.7270/Q27M07TN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50247729 ((E)-3-(3-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1...) Show SMILES CN1C(=O)\C(Oc2ccccc12)=C\c1ccc(\C=C\C(=O)NCc2ccncc2)s1 Show InChI InChI=1S/C23H19N3O3S/c1-26-19-4-2-3-5-20(19)29-21(23(26)28)14-18-7-6-17(30-18)8-9-22(27)25-15-16-10-12-24-13-11-16/h2-14H,15H2,1H3,(H,25,27)/b9-8+,21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) expressed in baculovirus system by ELISA				Bioorg Med Chem 17: 699-708 (2009) Article DOI: 10.1016/j.bmc.2008.11.060 BindingDB Entry DOI: 10.7270/Q27M07TN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50247728 ((E)-3-(5-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1...) Show SMILES CN1C(=O)\C(Oc2ccccc12)=C\c1ccc(\C=C\C(=O)NCc2cccnc2)s1 Show InChI InChI=1S/C23H19N3O3S/c1-26-19-6-2-3-7-20(19)29-21(23(26)28)13-18-9-8-17(30-18)10-11-22(27)25-15-16-5-4-12-24-14-16/h2-14H,15H2,1H3,(H,25,27)/b11-10+,21-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) expressed in baculovirus system by ELISA				Bioorg Med Chem 17: 699-708 (2009) Article DOI: 10.1016/j.bmc.2008.11.060 BindingDB Entry DOI: 10.7270/Q27M07TN
					More data for this Ligand-Target Pair