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4 similar compounds to monomer 50260228

Compile data set for download or QSAR
Wt: 388.3
BDBM50077965
Wt: 492.5
BDBM50077969
Wt: 508.5
BDBM50077970
Wt: 492.5
BDBM50077975

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50077965,50077969,50077970,50077975   
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 9


(Homo sapiens (Human))
BDBM50077970
PNG
((4-Methoxy-benzyl)-{4-[2-piperidin-4-yl-5-(3-trifl...)
Show SMILES COc1ccc(CNc2nccc(n2)-c2nc([nH]c2-c2cccc(c2)C(F)(F)F)C2CCNCC2)cc1
Show InChI InChI=1S/C27H27F3N6O/c1-37-21-7-5-17(6-8-21)16-33-26-32-14-11-22(34-26)24-23(19-3-2-4-20(15-19)27(28,29)30)35-25(36-24)18-9-12-31-13-10-18/h2-8,11,14-15,18,31H,9-10,12-13,16H2,1H3,(H,35,36)(H,32,33,34)
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Article
PubMed
n/an/a 735n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50077975
PNG
(((S)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50077969
PNG
(((R)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50077975
PNG
(((S)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50077969
PNG
(((R)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m1/s1
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n/an/a 295n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50077965
PNG
(4-[2-Piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3...)
Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C19H19F3N6/c20-19(21,22)13-3-1-2-12(10-13)15-16(14-6-9-25-18(23)26-14)28-17(27-15)11-4-7-24-8-5-11/h1-3,6,9-11,24H,4-5,7-8H2,(H,27,28)(H2,23,25,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair