BDBM98199 US8481733, 10

SMILES: Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1

InChI Key: InChIKey=SAFIVUCEBPHLEO-IYBDPMFKSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 98199   

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 kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM98199 (US8481733, 10) Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:23.26,25.29,(-5.14,3.1,;-5.14,1.56,;-6.48,.79,;-6.48,-.75,;-5.14,-1.52,;-3.81,-.75,;-2.34,-1.23,;-1.44,.02,;-2.34,1.26,;-1.25,2.35,;.23,1.95,;1.32,3.04,;.92,4.53,;2.01,5.62,;3.5,5.22,;3.9,3.73,;5.39,3.33,;6.48,4.42,;6.08,5.91,;4.59,6.31,;-.56,4.93,;-1.65,3.84,;-3.81,.79,;-1.94,-2.72,;-2.71,-4.05,;-1.38,-4.82,;-.98,-6.31,;-.61,-3.49,)| Show InChI InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, LLC US Patent					Assay Description AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.				US Patent US8481733 (2013) BindingDB Entry DOI: 10.7270/Q2XD109J
					More data for this Ligand-Target Pair				3D Structure (crystal)