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SMILES: COC(=O)CCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1

InChI Key: InChIKey=TTXVUOYDRIZUHN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244937   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50244937
PNG
(CHEMBL4104221)
Show SMILES COC(=O)CCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H34N6O4/c1-32(2)26(36)22-16-18-17-28-27(31-25(18)33(22)21-8-4-5-9-21)30-20-14-12-19(13-15-20)29-23(34)10-6-7-11-24(35)37-3/h12-17,21H,4-11H2,1-3H3,(H,29,34)(H,28,30,31)
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PC cid
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Similars
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i...

J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK
More data for this
Ligand-Target Pair