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2 similar compounds to monomer 50088049

Compile data set for download or QSAR
Wt: 318.3
BDBM50064152
Wt: 421.5
BDBM50118112

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50064152,50118112   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50118112
PNG
(CHEMBL3613444)
Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C26H35N3O2/c1-18(2)25(17-29-12-10-20(11-13-29)19-6-4-3-5-7-19)28-26(31)24-15-21-8-9-23(30)14-22(21)16-27-24/h3-9,14,18,20,24-25,27,30H,10-13,15-17H2,1-2H3,(H,28,31)/t24-,25-/m1/s1
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Article
PubMed
777n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG


Bioorg Med Chem 23: 6379-88 (2015)


Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
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n/an/a 4.85E+5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair