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BDBM21627 N-[4-methyl-3-({3-[(4-methylpiperazin-1-yl)methyl]benzene}amido)phenyl]-3-phenyl-1,2-thiazole-5-carboxamide::N-{4-methyl-3-[({3-[(4-methylpiperazin-1-yl)methyl]phenyl}carbonyl)amino]phenyl}-3-phenylisothiazole-5-carboxamide::Phenylisothiazole-5-carboxamide, 15

SMILES: CN1CCN(Cc2cccc(c2)C(=O)Nc2cc(NC(=O)c3cc(ns3)-c3ccccc3)ccc2C)CC1

InChI Key: InChIKey=YLFVOCWPJQUYGK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21627   
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
Prostaglandin D Synthase


(Homo sapiens (human))
BDBM21627
PNG
(N-[4-methyl-3-({3-[(4-methylpiperazin-1-yl)methyl]...)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)Nc2cc(NC(=O)c3cc(ns3)-c3ccccc3)ccc2C)CC1
Show InChI InChI=1S/C30H31N5O2S/c1-21-11-12-25(31-30(37)28-19-27(33-38-28)23-8-4-3-5-9-23)18-26(21)32-29(36)24-10-6-7-22(17-24)20-35-15-13-34(2)14-16-35/h3-12,17-19H,13-16,20H2,1-2H3,(H,31,37)(H,32,36)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 75n/an/an/an/a7.222



AstraZeneca



Assay Description
The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-w...


J Med Chem 51: 2178-86 (2008)

More data for this
Ligand-Target Pair