BDBM50354477 CHEMBL1836675

SMILES: CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1

InChI Key: InChIKey=UJKRVNQXSJVFMA-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 = 50354477   

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))	BDBM50354477 (CHEMBL1836675) Show SMILES CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22FN5S/c1-15(16-8-4-3-5-9-16)14-28-21-18(13-25-28)20(26-22(27-21)29-2)24-12-17-10-6-7-11-19(17)23/h3-11,13,15H,12,14H2,1-2H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50354477 (CHEMBL1836675) Show SMILES CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C22H22FN5S/c1-15(16-8-4-3-5-9-16)14-28-21-18(13-25-28)20(26-22(27-21)29-2)24-12-17-10-6-7-11-19(17)23/h3-11,13,15H,12,14H2,1-2H3,(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+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 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