Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 1928   

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
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Mol Biol 367: 882-94 (2007) Article DOI: 10.1016/j.jmb.2007.01.004 BindingDB Entry DOI: 10.7270/Q29Z934H
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...				J Mol Biol 367: 882-94 (2007) Article DOI: 10.1016/j.jmb.2007.01.004 BindingDB Entry DOI: 10.7270/Q29Z934H
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM16222 (CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...) Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...				J Mol Biol 367: 882-94 (2007) Article DOI: 10.1016/j.jmb.2007.01.004 BindingDB Entry DOI: 10.7270/Q29Z934H
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16222 (CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...) Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Mol Biol 367: 882-94 (2007) Article DOI: 10.1016/j.jmb.2007.01.004 BindingDB Entry DOI: 10.7270/Q29Z934H
					More data for this Ligand-Target Pair				3D Structure (crystal)