BDBM50221558 4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide::CHEMBL400403

SMILES: Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl

InChI Key: InChIKey=UQNMVTOJPFMVNB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50221558   

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))	BDBM50221558 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)C(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C27H27ClN6O2/c1-17-14-19(22-16-21(35)8-9-23(22)28)15-24-25(17)31-27(33-32-24)30-20-6-4-18(5-7-20)26(36)29-10-13-34-11-2-3-12-34/h4-9,14-16,35H,2-3,10-13H2,1H3,(H,29,36)(H,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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