Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM332706'   

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))	BDBM332706 (US10196378, Compound C09 | US10196378, Compound C1...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C32H28N6O2/c1-32(2,3)29-20-30(38(37-29)24-11-15-27-22(18-24)7-5-16-33-27)36-31(39)35-23-9-13-25(14-10-23)40-26-12-8-21-6-4-17-34-28(21)19-26/h4-20H,1-3H3,(H2,35,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM332706 (US10196378, Compound C09 | US10196378, Compound C1...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C32H28N6O2/c1-32(2,3)29-20-30(38(37-29)24-11-15-27-22(18-24)7-5-16-33-27)36-31(39)35-23-9-13-25(14-10-23)40-26-12-8-21-6-4-17-34-28(21)19-26/h4-20H,1-3H3,(H2,35,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM332706 (US10196378, Compound C09 | US10196378, Compound C1...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C32H28N6O2/c1-32(2,3)29-20-30(38(37-29)24-11-15-27-22(18-24)7-5-16-33-27)36-31(39)35-23-9-13-25(14-10-23)40-26-12-8-21-6-4-17-34-28(21)19-26/h4-20H,1-3H3,(H2,35,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	719	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00296a BindingDB Entry DOI: 10.7270/Q24F1VP1
					More data for this Ligand-Target Pair