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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM313080'   
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
Insulin receptor


(Homo sapiens (Human))		BDBM313080
PNG
(N3-(3-chloro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...)
Show SMILES COc1cc2ncnc(-n3nc(Nc4ccc(OCCN5CCCC5)c(Cl)c4)nc3N)c2cc1OC
Show InChI InChI=1S/C24H27ClN8O3/c1-34-20-12-16-18(13-21(20)35-2)27-14-28-22(16)33-23(26)30-24(31-33)29-15-5-6-19(17(25)11-15)36-10-9-32-7-3-4-8-32/h5-6,11-14H,3-4,7-10H2,1-2H3,(H3,26,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.17E+3n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by...

Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair