BDBM50221564 4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-methyl-N-(2-morpholinoethyl)benzenesulfonamide::CHEMBL250423::US8481536, 539

SMILES: CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1

InChI Key: InChIKey=PUJPRSYMMNNGBM-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50221564   

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))	BDBM50221564 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C27H29ClN6O4S/c1-18-15-19(23-17-21(35)5-8-24(23)28)16-25-26(18)30-27(32-31-25)29-20-3-6-22(7-4-20)39(36,37)33(2)9-10-34-11-13-38-14-12-34/h3-8,15-17,35H,9-14H2,1-2H3,(H,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl				Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50221564 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C27H29ClN6O4S/c1-18-15-19(23-17-21(35)5-8-24(23)28)16-25-26(18)30-27(32-31-25)29-20-3-6-22(7-4-20)39(36,37)33(2)9-10-34-11-13-38-14-12-34/h3-8,15-17,35H,9-14H2,1-2H3,(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	25
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
					More data for this Ligand-Target Pair