Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50047662   

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))	BDBM50182405 (CHEMBL3818016) Show SMILES COCCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C25H24ClN5O4/c1-15-4-3-7-30(23(15)32)18-5-6-19(21(26)11-18)20-10-16-12-27-25(28-17-13-35-14-17)29-22(16)31(24(20)33)8-9-34-2/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182294 (CHEMBL3817984) Show SMILES CCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C24H22ClN5O3/c1-3-29-21-15(11-26-24(28-21)27-16-12-33-13-16)9-19(23(29)32)18-7-6-17(10-20(18)25)30-8-4-5-14(2)22(30)31/h4-11,16H,3,12-13H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182288 (CHEMBL3818432) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C22H22ClN7O2/c1-13-10-26-12-30(20(13)31)15-4-5-16(18(23)9-15)17-8-14-11-27-22(25-2)28-19(14)29(21(17)32)7-3-6-24/h4-5,8-12H,3,6-7,24H2,1-2H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182293 (CHEMBL3817890) Show SMILES CCn1c2nc(NC)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C22H20ClN5O2/c1-4-27-19-14(12-25-22(24-3)26-19)10-17(21(27)30)16-8-7-15(11-18(16)23)28-9-5-6-13(2)20(28)29/h5-12H,4H2,1-3H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182292 (CHEMBL3818273) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC)c2n1 Show InChI InChI=1S/C23H22ClN5O3/c1-14-5-4-8-28(21(14)30)16-6-7-17(19(24)12-16)18-11-15-13-26-23(25-2)27-20(15)29(22(18)31)9-10-32-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair