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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 7 (CDK7)' and Ligand = 'BDBM7585'   
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 7 (CDK7)


(Homo sapiens (Human))
BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)
PDB
MMDB

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PC sid
PDB
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Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged recombinant human CDK7/cyclinH expressed in baculovirus-infected sf9 cells using biotinyl-Ahx-(YSPTSPS)4 as substrate afte...


J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair