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2 similar compounds to monomer 50205477

Compile data set for download or QSAR
Wt: 371.4
BDBM153752
Wt: 389.4
BDBM50205475

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 153752,50205475   
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 TBK1


(Homo sapiens (Human))
BDBM153752
PNG
(ROCHE screening, 70)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S\C1=C/c1ccc2ncccc2c1
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/b20-12-/t17-,19+/m0/s1
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Article
PubMed
n/an/a 6.09E+3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)


Article DOI: 10.1021/cb500908d
BindingDB Entry DOI: 10.7270/Q2WH2NRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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PubMed
n/an/a 2.03E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human MDA435 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 3.07E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW480 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human RKO cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human HCT116 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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Article
PubMed
n/an/a 3.24E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SJSA1 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair