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BDBM50252782 CHEMBL493671::N-Cyclopropyl-4-methyl-3-(1-((S)-2,2,2-trifluoro-1-methylethoxy)-6-phthalazinyl)benzamide

SMILES: C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F

InChI Key: InChIKey=XANMCBRIKIVXBI-ZDUSSCGKSA-N

Data: 8 IC50

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 8 hits for monomerid = 50252782   
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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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n/an/a 954n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn (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))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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n/an/a 1n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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n/an/a 2.68E+3n/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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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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 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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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n/an/a 1.06E+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 8


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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n/an/a 7.77E+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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50252782
PNG
(CHEMBL493671 | N-Cyclopropyl-4-methyl-3-(1-((S)-2,...)
Show SMILES C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N3O2/c1-12-3-4-15(20(29)27-17-6-7-17)10-19(12)14-5-8-18-16(9-14)11-26-28-21(18)30-13(2)22(23,24)25/h3-5,8-11,13,17H,6-7H2,1-2H3,(H,27,29)/t13-/m0/s1
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n/an/a>5.00E+3n/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