Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50034328   

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))	BDBM50360605 (CHEMBL1933538) Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r| Show InChI InChI=1S/C25H27FN4O/c26-18-7-8-21-17(12-18)13-22(28-21)24(31)30-16-25(20-5-1-2-6-23(20)30)9-11-29(15-25)19-4-3-10-27-14-19/h1-2,5-8,12-13,19,27-28H,3-4,9-11,14-16H2/t19?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 22: 190-3 (2011) Article DOI: 10.1016/j.bmcl.2011.11.036 BindingDB Entry DOI: 10.7270/Q2CF9QJS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50360610 (CHEMBL1933552) Show SMILES C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r| Show InChI InChI=1S/C26H29FN4O/c1-17-6-9-20(14-28-17)30-11-10-26(15-30)16-31(24-5-3-2-4-21(24)26)25(32)23-12-18-7-8-19(27)13-22(18)29-23/h2-5,7-8,12-13,17,20,28-29H,6,9-11,14-16H2,1H3/t17-,20?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 22: 190-3 (2011) Article DOI: 10.1016/j.bmcl.2011.11.036 BindingDB Entry DOI: 10.7270/Q2CF9QJS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50360609 (CHEMBL1933551) Show SMILES C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r| Show InChI InChI=1S/C26H30N4O/c1-18-10-11-20(15-27-18)29-13-12-26(16-29)17-30(24-9-5-3-7-21(24)26)25(31)23-14-19-6-2-4-8-22(19)28-23/h2-9,14,18,20,27-28H,10-13,15-17H2,1H3/t18-,20?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 22: 190-3 (2011) Article DOI: 10.1016/j.bmcl.2011.11.036 BindingDB Entry DOI: 10.7270/Q2CF9QJS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50360611 (CHEMBL1933550) Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r| Show InChI InChI=1S/C24H25FN4O/c25-17-6-5-16-11-21(27-20(16)12-17)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 22: 190-3 (2011) Article DOI: 10.1016/j.bmcl.2011.11.036 BindingDB Entry DOI: 10.7270/Q2CF9QJS
					More data for this Ligand-Target Pair