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SMILES: CC(C)n1nc(C#Cc2cccc(Cl)c2)c2c(N)ncnc12

InChI Key: InChIKey=YLZAAULRAWXXOU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50499300   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50499300 (CHEMBL3735491) Show SMILES CC(C)n1nc(C#Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H14ClN5/c1-10(2)22-16-14(15(18)19-9-20-16)13(21-22)7-6-11-4-3-5-12(17)8-11/h3-5,8-10H,1-2H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of Abl T315I mutant (unknown origin) after 30 mins by phosphocellulose paper disk assay using 0.1 mM EAIYAAPFAKKK peptide substrate				J Med Chem 58: 9228-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b01125 BindingDB Entry DOI: 10.7270/Q2542RK1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50499300 (CHEMBL3735491) Show SMILES CC(C)n1nc(C#Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C16H14ClN5/c1-10(2)22-16-14(15(18)19-9-20-16)13(21-22)7-6-11-4-3-5-12(17)8-11/h3-5,8-10H,1-2H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of human wild-type Abl after 30 mins by phosphocellulose paper disk assay using 0.1 mM EAIYAAPFAKKK peptide substrate				J Med Chem 58: 9228-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b01125 BindingDB Entry DOI: 10.7270/Q2542RK1
					More data for this Ligand-Target Pair