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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK7/Cyclin H/MNAT1' and Ligand = 'BDBM50319622'   
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
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50319622
PNG
(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
370n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK7


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair