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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 = 'BDBM50545379'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50545379
PNG
(CHEMBL4645010)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)CCCCCCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C |r|
Show InChI InChI=1S/C53H72F2N12O6/c1-32-38-30-58-52(63-47(38)67(36-16-12-13-17-36)50(72)44(32)34(3)68)60-42-22-21-37(29-57-42)65-26-24-64(25-27-65)23-14-10-8-9-11-20-43(69)59-35-28-41(49(71)61-45-39(54)18-15-19-40(45)55)66(31-35)51(73)46(53(4,5)6)62-48(70)33(2)56-7/h15,18-19,21-22,29-30,33,35-36,41,46,56H,8-14,16-17,20,23-28,31H2,1-7H3,(H,59,69)(H,61,71)(H,62,70)(H,57,58,60,63)/t33-,35-,41-,46+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
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Article
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127106
BindingDB Entry DOI: 10.7270/Q2JW8JF1
More data for this
Ligand-Target Pair