BDBM50354487 CHEMBL270958

SMILES: Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12

InChI Key: InChIKey=VCOAOUSBGWYYLM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50354487   

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))	BDBM50354487 (CHEMBL270958) Show SMILES Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17| Show InChI InChI=1S/C20H17ClFN5/c21-17(14-6-2-1-3-7-14)12-27-20-16(11-26-27)19(24-13-25-20)23-10-15-8-4-5-9-18(15)22/h1-9,11,13,17H,10,12H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	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))	BDBM50354487 (CHEMBL270958) Show SMILES Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17| Show InChI InChI=1S/C20H17ClFN5/c21-17(14-6-2-1-3-7-14)12-27-20-16(11-26-27)19(24-13-25-20)23-10-15-8-4-5-9-18(15)22/h1-9,11,13,17H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	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 Binding affinity to human recombinant Abl by cell free assay				J Med Chem 51: 1252-9 (2008) Article DOI: 10.1021/jm701240c BindingDB Entry DOI: 10.7270/Q2MW2J10
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50354487 (CHEMBL270958) Show SMILES Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17| Show InChI InChI=1S/C20H17ClFN5/c21-17(14-6-2-1-3-7-14)12-27-20-16(11-26-27)19(24-13-25-20)23-10-15-8-4-5-9-18(15)22/h1-9,11,13,17H,10,12H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	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