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BDBM50356582 CHEMBL1910126

SMILES: Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=OZVWHEGOMPUFMZ-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50356582   
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 4


(Homo sapiens (Human))
BDBM50356582
PNG
(CHEMBL1910126)
Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31)
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PubMed
0.260n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356582
PNG
(CHEMBL1910126)
Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31)
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558n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50356582
PNG
(CHEMBL1910126)
Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31)
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1.71E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356582
PNG
(CHEMBL1910126)
Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 up to 40 uM


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50356582
PNG
(CHEMBL1910126)
Show SMILES Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl2N5O2/c1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14/h2-7,9H,8,10-12,26H2,1H3,(H,28,31)
PDB
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UniChem

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Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair