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SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCOCc4ccccc4)c3n2)cc1

InChI Key: InChIKey=GKQSKZCNRVZXNQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 6270   
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-D1 [L188C]


(Homo sapiens (Human))		BDBM6270
PNG
(8-(2-Benzyloxyethyl)-2-[4-(4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCOCc4ccccc4)c3n2)cc1
Show InChI InChI=1S/C27H30N6O2/c1-31-13-15-32(16-14-31)24-10-8-23(9-11-24)29-27-28-19-22-7-12-25(34)33(26(22)30-27)17-18-35-20-21-5-3-2-4-6-21/h2-12,19H,13-18,20H2,1H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
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PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...

J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair