BDBM50354482 CHEMBL1836681

SMILES: Fc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1

InChI Key: InChIKey=OBXCVSNLDISGTK-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 = 50354482   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50354482 (CHEMBL1836681) Show SMILES Fc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C20H18FN5/c21-17-8-4-7-16(11-17)12-22-19-18-13-25-26(20(18)24-14-23-19)10-9-15-5-2-1-3-6-15/h1-8,11,13-14H,9-10,12H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354482 (CHEMBL1836681) Show SMILES Fc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C20H18FN5/c21-17-8-4-7-16(11-17)12-22-19-18-13-25-26(20(18)24-14-23-19)10-9-15-5-2-1-3-6-15/h1-8,11,13-14H,9-10,12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP				Bioorg Med Chem Lett 21: 5928-33 (2011) Article DOI: 10.1016/j.bmcl.2011.07.079 BindingDB Entry DOI: 10.7270/Q29G5N6P
					More data for this Ligand-Target Pair