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BDBM337266 (R)-3-(6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)-6-(1-phenylethyl)-5,6-dihydro-1H-pyrazolo[4,3-g]quinazolin-7(8H)-one::US9745307, Example 47

SMILES: C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)N1CCc2ncsc2C1)c1ccccc1

InChI Key: InChIKey=PYBNEOGABNQBRP-CQSZACIVSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 337266   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337266
PNG
((R)-3-(6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)N1CCc2ncsc2C1)c1ccccc1
Show InChI InChI=1S/C23H22N6OS/c1-14(15-5-3-2-4-6-15)29-11-16-9-17-20(10-19(16)25-23(29)30)26-27-22(17)28-8-7-18-21(12-28)31-13-24-18/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,25,30)(H,26,27)/t14-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9745307 (2017)


Article DOI: 10.1016/j.bmc.2006.03.042
More data for this
Ligand-Target Pair