BDBM50186219 CHEMBL3824215

SMILES: C1CCC(CC1)Nc1ncnc2n(\C=C\c3ccccc3)ncc12

InChI Key: InChIKey=QIWLXXNQCCUNRP-VAWYXSNFSA-N

Data: 1 IC50

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 = 50186219   

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))	BDBM50186219 (CHEMBL3824215) Show SMILES C1CCC(CC1)Nc1ncnc2n(\C=C\c3ccccc3)ncc12 Show InChI InChI=1S/C19H21N5/c1-3-7-15(8-4-1)11-12-24-19-17(13-22-24)18(20-14-21-19)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,20,21,23)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant human N-terminal His6-tagged ABL (27-end residues) T315I mutant expressed in baculovirus infected sf21 cells usi...				Bioorg Med Chem Lett 26: 3436-40 (2016) BindingDB Entry DOI: 10.7270/Q22N547G
					More data for this Ligand-Target Pair