BDBM50413975 CHEMBL472822

SMILES: CCCCNc1ncnc2n(CC(Cl)c3ccccc3)ncc12

InChI Key: InChIKey=OWQSKFMEYPTYKI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50413975   

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))	BDBM50413975 (CHEMBL472822) Show SMILES CCCCNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C17H20ClN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of ABL1 (unknown origin)				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50413975 (CHEMBL472822) Show SMILES CCCCNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C17H20ClN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of c-Src				Eur J Med Chem 44: 990-1000 (2009) Article DOI: 10.1016/j.ejmech.2008.07.002 BindingDB Entry DOI: 10.7270/Q2ZC8434
					More data for this Ligand-Target Pair