Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50530309'   

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))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of Myr-GQQPGKVLGDQRRPSL(K-TAMRA)G-amide from N-terminal-truncated human c-ABL D382N mutant (46 to 534 residues) after 30 mins by fluores...				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of Myr-GQQPGKVLGDQRRPSL(K-TAMRA)G-amide from N-terminal-truncated human c-ABL D382N mutant (46 to 534 residues) after 30 mins by fluores...				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50530309 (CHEMBL4456576) Show SMILES OCCC1CN(N=C1NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4O2/c18-14-4-3-13(8-15(14)19)23-10-12(5-7-24)16(22-23)21-17(25)11-2-1-6-20-9-11/h1-4,6,8-9,12,24H,5,7,10H2,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis				J Med Chem 62: 2154-2171 (2019) Article DOI: 10.1021/acs.jmedchem.8b01872 BindingDB Entry DOI: 10.7270/Q2X92FR3
					More data for this Ligand-Target Pair