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BDBM50314071 2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ureido)nicotinamide::CHEMBL1090090::VX-702

SMILES: NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F

InChI Key: InChIKey=FYSRKRZDBHOFAY-UHFFFAOYSA-N

Data: 7 Kd

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 = 50314071   
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 14


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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n/an/an/a 3.70n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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n/an/an/a 17n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to p38beta


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair
Activin receptor type-2B


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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n/an/an/a 92n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to ACVR2beta


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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n/an/an/a 3.30E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to PIK4Cbeta


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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n/an/an/a 780n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to JNK3


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
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n/an/an/a 2.60E+3n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to JNK2


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair
Serine/threonine protein kinase NLK


(Homo sapiens (Human))
BDBM50314071
PNG
(2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ur...)
Show SMILES NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
NCI pathway
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PubMed
n/an/an/a 160n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to NLK


J Med Chem 53: 2345-53 (2010)


Article DOI: 10.1021/jm9012906
BindingDB Entry DOI: 10.7270/Q27H1JQC
More data for this
Ligand-Target Pair