Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL2' and Ligand = 'BDBM481131'   

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 ABL2 (Homo sapiens (Human))	BDBM481131 (US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1 Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Inhibikase Therapeutics, Inc. US Patent					Assay Description Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...				US Patent US10906896 (2021) BindingDB Entry DOI: 10.7270/Q2G44TCQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL2 (Homo sapiens (Human))	BDBM481131 (US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1 Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2R215H9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL2 (Homo sapiens (Human))	BDBM481131 (US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1 Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Inhibikase Therapeutics, Inc. US Patent					Assay Description Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...				US Patent US10906896 (2021) BindingDB Entry DOI: 10.7270/Q2G44TCQ
					More data for this Ligand-Target Pair