Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM477691'   

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 [64-515] (Homo sapiens (Human))	BDBM477691 ((R)—N8-(4-(chlorodifluoromethoxy)phenyl)-N6,4...) Show SMILES C[C@@H]1COCc2nc3cc(cc(Br)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C19H15BrClF2N3O3/c1-10-8-28-9-16-25-15-7-11(6-14(20)17(15)26(10)16)18(27)24-12-2-4-13(5-3-12)29-19(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477691 ((R)—N8-(4-(chlorodifluoromethoxy)phenyl)-N6,4...) Show SMILES C[C@@H]1COCc2nc3cc(cc(Br)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C19H15BrClF2N3O3/c1-10-8-28-9-16-25-15-7-11(6-14(20)17(15)26(10)16)18(27)24-12-2-4-13(5-3-12)29-19(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477691 ((R)—N8-(4-(chlorodifluoromethoxy)phenyl)-N6,4...) Show SMILES C[C@@H]1COCc2nc3cc(cc(Br)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C19H15BrClF2N3O3/c1-10-8-28-9-16-25-15-7-11(6-14(20)17(15)26(10)16)18(27)24-12-2-4-13(5-3-12)29-19(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair