Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activated CDC42 kinase 1' and Ligand = 'BDBM50421260'   

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))	BDBM50421260 (CHEMBL2087878) Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C28H32N4O2S/c1-32(2)15-16-33-22-13-11-21(12-14-22)26-24(20-8-4-3-5-9-20)25-27(30-19-31-28(25)34-26)29-18-23-10-6-7-17-35-23/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3,(H,29,30,31)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...				Bioorg Med Chem Lett 22: 6212-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.020 BindingDB Entry DOI: 10.7270/Q2VH5Q4X
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Mus musculus)	BDBM50421260 (CHEMBL2087878) Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C28H32N4O2S/c1-32(2)15-16-33-22-13-11-21(12-14-22)26-24(20-8-4-3-5-9-20)25-27(30-19-31-28(25)34-26)29-18-23-10-6-7-17-35-23/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3,(H,29,30,31)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs				Bioorg Med Chem Lett 22: 6212-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.020 BindingDB Entry DOI: 10.7270/Q2VH5Q4X
					More data for this Ligand-Target Pair