Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003226   

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
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50468258 (CHEMBL4293583) Show SMILES [Na;v0+].[H][C@]12[#6@H](-[#6][C@@]3([#6])[#6]4=[#6]-[#6][C@@]5([H])C([#6])([#6])[#6@H](-[#6]-[#6][C@]5([#6])[C@]4([H])[#6]-[#6]C13[#6](=O)-[#8][C@@]2([#6])[#6]-[#6]-[#6]-[#6](-[#6])-[#6])-[#8][C@]1([H])[#8]-[#6]-[#6@@H](-[#8]S([#8-])(=O)=O)-[#6@H](-[#8])-[#6@H]1-[#8][C@]1([H])[#8]-[#6@H](-[#6])-[#6@@H](-[#8][C@]2([H])[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8][C@]3([H])[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8]-[#6])-[#6@H]3-[#8])-[#6@H]2-[#8])-[#6@H](-[#8])-[#6@H]1-[#8][C@]1([H])[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]1-[#8])-[#8]-[#6](-[#6])=O |r,t:6| Show InChI InChI=1S/C60H96O29S.Na/c1-25(2)12-11-17-59(9)49-32(81-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(72)88-59)83-53-47(39(67)34(24-79-53)89-90(73,74)75)87-54-48(86-50-40(68)37(65)30(63)22-77-50)41(69)44(26(3)80-54)84-51-42(70)45(31(64)23-78-51)85-52-43(71)46(76-10)38(66)33(21-61)82-52;/h13,25-26,28,30-54,61,63-71H,11-12,14-24H2,1-10H3,(H,73,74,75);/q;+1/p-1/t26-,28-,30-,31-,32+,33-,34-,35+,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,57-,58+,59+,60?;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
PAK Research Center Curated by ChEMBL					Assay Description Inhibition of recombinant human PAK1 by ADP-Glo kinase assay				Eur J Med Chem 142: 229-243 (2017) Article DOI: 10.1016/j.ejmech.2017.07.043 BindingDB Entry DOI: 10.7270/Q21J9DG3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
PAK Research Center Curated by ChEMBL					Assay Description Inhibition of recombinant human PAK1 by ADP-Glo kinase assay				Eur J Med Chem 142: 229-243 (2017) Article DOI: 10.1016/j.ejmech.2017.07.043 BindingDB Entry DOI: 10.7270/Q21J9DG3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
PAK Research Center Curated by ChEMBL					Assay Description Inhibition of recombinant human PAK1 by ADP-Glo kinase assay				Eur J Med Chem 142: 229-243 (2017) Article DOI: 10.1016/j.ejmech.2017.07.043 BindingDB Entry DOI: 10.7270/Q21J9DG3
					More data for this Ligand-Target Pair