Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM446005'   

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))	BDBM446005 (US10669246, Example 56 | US10968188, Example 56) Show SMILES Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C16H13FN2OS2/c1-8-4-5-21-14(8)9-2-3-12-13(6-9)22-16(18-12)19-15(20)10-7-11(10)17/h2-6,10-11H,7H2,1H3,(H,18,19,20)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01022 BindingDB Entry DOI: 10.7270/Q24M98CQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446005 (US10669246, Example 56 | US10968188, Example 56) Show SMILES Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C16H13FN2OS2/c1-8-4-5-21-14(8)9-2-3-12-13(6-9)22-16(18-12)19-15(20)10-7-11(10)17/h2-6,10-11H,7H2,1H3,(H,18,19,20)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
1ST Biotherapeutics, Inc. US Patent					Assay Description ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(β-aminoethyl ether)-N,...				US Patent US10669246 (2020) BindingDB Entry DOI: 10.7270/Q24F1TSZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446005 (US10669246, Example 56 | US10968188, Example 56) Show SMILES Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C16H13FN2OS2/c1-8-4-5-21-14(8)9-2-3-12-13(6-9)22-16(18-12)19-15(20)10-7-11(10)17/h2-6,10-11H,7H2,1H3,(H,18,19,20)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair