BDBM196872 US9212192, 35

SMILES: COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=DVXOSNDMVAEESU-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 = 196872   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196872 (US9212192, 35) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C29H31Cl2N7O4/c1-41-23-16-18(29(40)34-8-3-10-37-12-14-42-15-13-37)6-7-22(23)35-27-25(26(32)39)28-33-9-11-38(28)24(36-27)17-19-20(30)4-2-5-21(19)31/h2,4-7,9,11,16,35H,3,8,10,12-15,17H2,1H3,(H2,32,39)(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-11.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair