BDBM196894 US9212192, 57

SMILES: CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3OC)N3CCNCC3)nc(Cc3c(Cl)cccc3Cl)n12

InChI Key: InChIKey=QZYMNDLNGOMMHJ-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 = 196894   

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))	BDBM196894 (US9212192, 57) Show SMILES CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3OC)N3CCNCC3)nc(Cc3c(Cl)cccc3Cl)n12 Show InChI InChI=1S/C26H28Cl2N8O2/c1-3-21-33-34-26-23(24(29)37)25(32-22(36(21)26)14-16-17(27)5-4-6-18(16)28)31-19-8-7-15(13-20(19)38-2)35-11-9-30-10-12-35/h4-8,13,30-31H,3,9-12,14H2,1-2H3,(H2,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-11.9	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