Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM445953'   

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))	BDBM445953 (US10669246, Example 5 | US10968188, Example 5) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM445953 (US10669246, Example 5 | US10968188, Example 5) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM445953 (US10669246, Example 5 | US10968188, Example 5) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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))	BDBM445953 (US10669246, Example 5 | US10968188, Example 5) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445953 (US10669246, Example 5 | US10968188, Example 5) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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