Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 15 entry = 50013779   

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
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibition of Protein kinase A				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma (Homo sapiens (Human))	BDBM2672 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma (Homo sapiens (Human))	BDBM2581 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Spain S.A. Curated by ChEMBL					Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING				Bioorg Med Chem Lett 13: 3835-9 (2003) BindingDB Entry DOI: 10.7270/Q2Z89BTC
					More data for this Ligand-Target Pair