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BDBM50253154 CHEMBL492265::N-Cyclopropyl-4-methyl-3-(1-(2-methylphenyl)-6-phthalazinyl)benzamide::N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide

SMILES: Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1

InChI Key: InChIKey=GQXMJOSCBRZMKE-UHFFFAOYSA-N

Data: 1 KI  8 IC50

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 9 hits for monomerid = 50253154   
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))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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PubMed
0.400n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a 2.94E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a 0.800n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of P38alpha MAPK (unknown origin)


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111624
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a 6.63E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50253154
PNG
(CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


J Med Chem 51: 6271-9 (2008)


Article DOI: 10.1021/jm8005417
BindingDB Entry DOI: 10.7270/Q2WH2PTN
More data for this
Ligand-Target Pair