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BDBM50273636 4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzamide::CHEMBL511337

SMILES: NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=QKAONCSNINNEGU-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50273636   
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
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB

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PC sid
UniChem
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n/an/an/a 96n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human DRAK1


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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB
MMDB

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n/an/an/a 1.23E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human MNK2


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
Serine/threonine-protein kinase MARK1


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB

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n/an/an/a 1.10E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human MARK1


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
Serine/threonine-protein kinase NEK7


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
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n/an/an/a>4.00E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human NEK7


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
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB
MMDB

NCI pathway
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n/an/an/a>4.00E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human LIMK2


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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB

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n/an/an/a 111n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human KIT


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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
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n/an/an/a 42n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human PDGFRB


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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB
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n/an/an/a 30n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human FLT3


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
Serine/threonine-protein kinase GAK


(Homo sapiens (Human))
BDBM50273636
PNG
(4-(5-(4-fluorophenyl)-1H-pyrazol-3-ylamino)benzami...)
Show SMILES NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN4O/c17-12-5-1-10(2-6-12)14-9-15(21-20-14)19-13-7-3-11(4-8-13)16(18)22/h1-9H,(H2,18,22)(H2,19,20,21)
PDB
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n/an/an/a 367n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human GAK


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