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SMILES: NC(=S)N1N=C(N)C(=Cc2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=JMXHEWBMQIUXCL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 110184   
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
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM110184
PNG
((4E)‐3‐amino‐4‐{[3‐(...)
Show SMILES NC(=S)N1N=C(N)C(=Cc2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O |w:8.8,t:4|
Show InChI InChI=1S/C20H15ClN6OS/c21-14-8-6-12(7-9-14)17-13(11-26(24-17)15-4-2-1-3-5-15)10-16-18(22)25-27(19(16)28)20(23)29/h1-11H,(H2,22,25)(H2,23,29)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.30E+3n/an/an/an/a6.237



Swami Ramanand Teerth Marathwada University, Nanded (MS), India



Assay Description
The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 µM 2-mercaptoethanol, 10 µM DL...

Bioorg Chem 53: 67-74 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2SF2TTP
More data for this
Ligand-Target Pair