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BDBM50359366 CHEMBL1929387::CHEMBL1929396

SMILES: Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=LDXYBEHACFJIEL-HNNXBMFYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50359366   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 7.27E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect cells using H-Ala-Pro-AFC as substrate after 60 mins by fluorescence...


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 1.77E+5n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP-2 expressed in human Caco-2 cells using H-Lys-Ala-AMC as substrate preincubated for 30 mins before substrate addition measured afte...


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem 19: 7221-7 (2011)

More data for this
Ligand-Target Pair