Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM98277'   

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))	BDBM98277 (US8481733, 89) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(-2.15,-6.23,;-1.38,-4.9,;-.05,-5.67,;-.61,-3.56,;-1.94,-2.79,;-2.71,-4.13,;-2.34,-1.31,;-1.44,-.06,;-2.34,1.19,;-1.25,2.27,;.23,1.88,;1.32,2.96,;.92,4.45,;2.01,5.54,;3.5,5.14,;3.9,3.65,;5.39,3.26,;6.48,4.35,;6.08,5.83,;4.59,6.23,;-.56,4.85,;-1.65,3.76,;-3.81,.71,;-5.14,1.48,;-5.14,3.02,;-6.48,.71,;-6.48,-.83,;-5.14,-1.6,;-3.81,-.83,)| Show InChI InChI=1S/C23H22N4O2/c1-23(28)13-16(14-23)22-26-19(20-21(24)25-11-12-27(20)22)15-7-9-18(10-8-15)29-17-5-3-2-4-6-17/h2-12,16,28H,13-14H2,1H3,(H2,24,25)/t16-,23+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 23: 979-84 (2013) Article DOI: 10.1016/j.bmcl.2012.12.042 BindingDB Entry DOI: 10.7270/Q2348MQT
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM98277 (US8481733, 89) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(-2.15,-6.23,;-1.38,-4.9,;-.05,-5.67,;-.61,-3.56,;-1.94,-2.79,;-2.71,-4.13,;-2.34,-1.31,;-1.44,-.06,;-2.34,1.19,;-1.25,2.27,;.23,1.88,;1.32,2.96,;.92,4.45,;2.01,5.54,;3.5,5.14,;3.9,3.65,;5.39,3.26,;6.48,4.35,;6.08,5.83,;4.59,6.23,;-.56,4.85,;-1.65,3.76,;-3.81,.71,;-5.14,1.48,;-5.14,3.02,;-6.48,.71,;-6.48,-.83,;-5.14,-1.6,;-3.81,-.83,)| Show InChI InChI=1S/C23H22N4O2/c1-23(28)13-16(14-23)22-26-19(20-21(24)25-11-12-27(20)22)15-7-9-18(10-8-15)29-17-5-3-2-4-6-17/h2-12,16,28H,13-14H2,1H3,(H2,24,25)/t16-,23+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	492	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