Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM98459'   

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))	BDBM98459 (US8481733, 271) Show SMILES NC[C@H]1CC[C@@H](CC1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnn12 |r,wU:5.8,wD:2.1,(-.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/C24H26N6O/c25-14-16-6-8-18(9-7-16)24-29-21(22-23(26)27-15-28-30(22)24)17-10-12-20(13-11-17)31-19-4-2-1-3-5-19/h1-5,10-13,15-16,18H,6-9,14,25H2,(H2,26,27,28)/t16-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	176	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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