BDBM50378810 CHEMBL1223482

SMILES: Cn1c2nc(NCc3cccc(NC(=O)CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O

InChI Key: InChIKey=SPKNCJPWJKOEQD-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50378810   

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))	BDBM50378810 (CHEMBL1223482) Show SMILES Cn1c2nc(NCc3cccc(NC(=O)CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(51.48,-23.91,;51.49,-22.37,;50.16,-21.61,;48.83,-22.38,;47.5,-21.61,;46.17,-22.38,;44.83,-21.62,;43.5,-22.39,;43.51,-23.94,;42.17,-24.72,;40.84,-23.94,;40.84,-22.4,;39.5,-21.63,;38.17,-22.4,;38.17,-23.94,;36.84,-21.63,;36.84,-20.09,;42.17,-21.63,;47.49,-20.08,;48.81,-19.3,;50.16,-20.06,;51.49,-19.29,;52.82,-20.07,;54.16,-19.3,;54.16,-17.77,;52.82,-17,;55.48,-17,;56.83,-17.77,;56.82,-19.31,;55.49,-20.08,;55.49,-21.62,;52.82,-21.61,;54.16,-22.38,)| Show InChI InChI=1S/C23H20Cl2N6O2/c1-31-21-14(9-16(22(31)33)20-17(24)6-3-7-18(20)25)12-28-23(30-21)27-11-13-4-2-5-15(8-13)29-19(32)10-26/h2-9,12H,10-11,26H2,1H3,(H,29,32)(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Iowa State University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Abl after 30 mins				Bioorg Med Chem 18: 6316-21 (2010) Article DOI: 10.1016/j.bmc.2010.07.021 BindingDB Entry DOI: 10.7270/Q2CZ384X
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