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BDBM163638 1(2Fluorophenyl)3(2hydroxyethyl)3[(6methyl2oxo1,2dihydroquinolin3yl)methyl]thiourea (Inh 3)

SMILES: Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1

InChI Key: InChIKey=WPRDQOPGGXWYOO-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 163638   
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
Beta-glucuronidase (EcGUS)


(Escherichia coli (Enterobacteria))
BDBM163638
PNG
(1(2Fluorophenyl)3(2hydroxyethyl)3[(6methyl2oxo1,2d...)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-13-6-7-17-14(10-13)11-15(19(26)22-17)12-24(8-9-25)20(27)23-18-5-3-2-4-16(18)21/h2-7,10-11,25H,8-9,12H2,1H3,(H,22,26)(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
680n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Chem Biol 22: 1238-49 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.005
BindingDB Entry DOI: 10.7270/Q2Q52NCD
More data for this
Ligand-Target Pair
Beta-glucuronidase (CpGUS)


(Clostridium perfringens (Firmicutes))
BDBM163638
PNG
(1(2Fluorophenyl)3(2hydroxyethyl)3[(6methyl2oxo1,2d...)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-13-6-7-17-14(10-13)11-15(19(26)22-17)12-24(8-9-25)20(27)23-18-5-3-2-4-16(18)21/h2-7,10-11,25H,8-9,12H2,1H3,(H,22,26)(H,23,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.80E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Chem Biol 22: 1238-49 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.005
BindingDB Entry DOI: 10.7270/Q2Q52NCD
More data for this
Ligand-Target Pair
Beta-glucuronidase (SaGUS)


(Streptococcus agalactiae (Firmicutes))
BDBM163638
PNG
(1(2Fluorophenyl)3(2hydroxyethyl)3[(6methyl2oxo1,2d...)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1
Show InChI InChI=1S/C20H20FN3O2S/c1-13-6-7-17-14(10-13)11-15(19(26)22-17)12-24(8-9-25)20(27)23-18-5-3-2-4-16(18)21/h2-7,10-11,25H,8-9,12H2,1H3,(H,22,26)(H,23,27)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 無 assay buffer, 5 無 inhibitor solution, 5 無 of 10 nM enz...


Chem Biol 22: 1238-49 (2015)


Article DOI: 10.1016/j.chembiol.2015.08.005
BindingDB Entry DOI: 10.7270/Q2Q52NCD
More data for this
Ligand-Target Pair