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BDBM50230828 5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide::CHEMBL257167::[5-(p-fluorophenyl)-2-ureido]thiophene-3-carboxamide

SMILES: NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1

InChI Key: InChIKey=SAYGKHKXGCPTLX-UHFFFAOYSA-N

Data: 1 KI  5 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50230828   
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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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n/an/an/a 22n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human JAK2


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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n/an/a 18n/an/an/an/an/an/a



University of Aberdeen

Curated by ChEMBL


Assay Description
Inhibition of IKK beta at 300 uM by K-ELISA


J Nat Prod 71: 106-11 (2008)


Article DOI: 10.1021/np070290y
BindingDB Entry DOI: 10.7270/Q2B858Z7
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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n/an/a 18n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem 17: 2759-66 (2009)


Article DOI: 10.1016/j.bmc.2009.02.041
BindingDB Entry DOI: 10.7270/Q2MW2H1K
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens)
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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n/an/a 250n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
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Article
PubMed
5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair