Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM98424'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM98424 (US8481733, 236) Show SMILES CNC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r,wU:6.9,wD:3.2,(-1.94,-8.48,;-.46,-8.88,;.63,-7.79,;.23,-6.31,;1.32,-5.22,;.92,-3.73,;-.56,-3.33,;-1.65,-4.42,;-1.25,-5.91,;-.96,-1.84,;-.06,-.6,;-.96,.65,;-.56,2.14,;.92,2.53,;1.32,4.02,;.23,5.11,;.63,6.6,;2.12,7,;3.21,5.91,;4.7,6.31,;5.09,7.79,;4.01,8.88,;2.52,8.48,;-1.25,4.71,;-1.65,3.22,;-2.43,.17,;-3.76,.94,;-3.76,2.48,;-5.09,.17,;-5.09,-1.37,;-3.76,-2.14,;-2.43,-1.37,)| Show InChI InChI=1S/C26H29N5O/c1-28-17-18-7-9-20(10-8-18)26-30-23(24-25(27)29-15-16-31(24)26)19-11-13-22(14-12-19)32-21-5-3-2-4-6-21/h2-6,11-16,18,20,28H,7-10,17H2,1H3,(H2,27,29)/t18-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	154	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
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