Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 6/G1/S-specific cyclin-D3' and Ligand = 'BDBM50420305'   

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
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50420305 (CHEMBL2089057 | US8598217, 173) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)| Show InChI InChI=1S/C27H30N8O/c1-16-24(17(2)34(5)32-16)21-14-18(6-7-19(21)15-28)25(36)27-29-22-8-9-23(30-26(22)31-27)35-12-10-20(11-13-35)33(3)4/h6-9,14,20H,10-13H2,1-5H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay				ACS Med Chem Lett 3: 445-449 (2012) Article DOI: 10.1021/ml200241a BindingDB Entry DOI: 10.7270/Q2P270DJ
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