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3 similar compounds to monomer 50324507

Compile data set for download or QSAR
Wt: 455.3
BDBM50324500
Wt: 455.3
BDBM50324505
Wt: 430.2
BDBM50324506

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50324500,50324505,50324506   
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
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50324500
PNG
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)
Show SMILES CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50324500
PNG
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)
Show SMILES CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50324505
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)
Show SMILES CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-4-3-15(23)9-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-5-7-26-8-6-14/h3-9,12H,10-11,25H2,1-2H3
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0.860n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50324505
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)
Show SMILES CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-4-3-15(23)9-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-5-7-26-8-6-14/h3-9,12H,10-11,25H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50324506
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1
Show InChI InChI=1S/C20H17Cl2N5O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)27-10-17(26-20(27)25-11)19(28)24-9-13-3-2-6-29-13/h2-7,10H,8-9,23H2,1H3,(H,24,28)
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50324500
PNG
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)
Show SMILES CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50324505
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)
Show SMILES CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-4-3-15(23)9-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-5-7-26-8-6-14/h3-9,12H,10-11,25H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50324506
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1
Show InChI InChI=1S/C20H17Cl2N5O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)27-10-17(26-20(27)25-11)19(28)24-9-13-3-2-6-29-13/h2-7,10H,8-9,23H2,1H3,(H,24,28)
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3.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50324506
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1
Show InChI InChI=1S/C20H17Cl2N5O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)27-10-17(26-20(27)25-11)19(28)24-9-13-3-2-6-29-13/h2-7,10H,8-9,23H2,1H3,(H,24,28)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage


J Med Chem 53: 5620-8 (2010)


Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX
More data for this
Ligand-Target Pair