Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50289743'   

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))	BDBM50289743 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C26H40N3O9P/c1-18(30)27-23(17-20-10-12-21(13-11-20)38-39(35,36)37)25(33)28-22(14-15-24(31)32)26(34)29(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain				Bioorg Med Chem Lett 7: 1909-1914 (1997) Article DOI: 10.1016/S0960-894X(97)00334-X BindingDB Entry DOI: 10.7270/Q26110BP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50289743 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C26H40N3O9P/c1-18(30)27-23(17-20-10-12-21(13-11-20)38-39(35,36)37)25(33)28-22(14-15-24(31)32)26(34)29(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of bovine lens Aldose reductase (ALR2), expressed as IC50				Bioorg Med Chem Lett 7: 1909-1914 (1997) Article DOI: 10.1016/S0960-894X(97)00334-X BindingDB Entry DOI: 10.7270/Q26110BP
					More data for this Ligand-Target Pair