Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50259591'   

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))	BDBM50259591 (CHEMBL493656) Show SMILES COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Beckman Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP				J Nat Prod 79: 2464-2471 (2016) Article DOI: 10.1021/acs.jnatprod.6b00285 BindingDB Entry DOI: 10.7270/Q2GF0WZR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50259591 (CHEMBL493656) Show SMILES COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beckman Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP				J Nat Prod 79: 2464-2471 (2016) Article DOI: 10.1021/acs.jnatprod.6b00285 BindingDB Entry DOI: 10.7270/Q2GF0WZR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50259591 (CHEMBL493656) Show SMILES COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beckman Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP				J Nat Prod 79: 2464-2471 (2016) Article DOI: 10.1021/acs.jnatprod.6b00285 BindingDB Entry DOI: 10.7270/Q2GF0WZR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50259591 (CHEMBL493656) Show SMILES COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beckman Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant ABL1 T315I mutant (unknown origin) after 120 mins in presence of [33P]ATP				J Nat Prod 79: 2464-2471 (2016) Article DOI: 10.1021/acs.jnatprod.6b00285 BindingDB Entry DOI: 10.7270/Q2GF0WZR
					More data for this Ligand-Target Pair