Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM98276'   

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))	BDBM98276 (US8481733, 88) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.58,-8.19,;1.49,-7.11,;1.09,-8.59,;2.26,-5.77,;.92,-5,;.15,-6.34,;.53,-3.51,;1.43,-2.27,;.53,-1.02,;.92,.46,;2.41,.86,;2.81,2.35,;1.72,3.44,;.23,3.04,;-.17,1.55,;2.12,4.93,;3.61,5.33,;1.03,6.02,;1.43,7.5,;.34,8.59,;-1.15,8.19,;-1.55,6.71,;-.46,5.62,;-.94,-1.5,;-2.27,-.73,;-2.27,.81,;-3.61,-1.5,;-3.61,-3.04,;-2.27,-3.81,;-.94,-3.04,)| Show InChI InChI=1S/C24H22N4O2/c1-24(30)13-18(14-24)23-27-19(20-22(25)26-11-12-28(20)23)15-7-9-17(10-8-15)21(29)16-5-3-2-4-6-16/h2-12,18,30H,13-14H2,1H3,(H2,25,26)/t18-,24+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	183	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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