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BDBM50356586 CHEMBL1910122

SMILES: CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O

InChI Key: InChIKey=KTYRZCOFWKPJRP-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50356586   
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 (DPP4)


(Homo sapiens (human))
BDBM50356586
PNG
(CHEMBL1910122)
Show SMILES CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28/h3-4,9H,5-8,10-12,25H2,1-2H3
PDB
MMDB

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Article
PubMed
0.670n/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)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50356586
PNG
(CHEMBL1910122)
Show SMILES CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28/h3-4,9H,5-8,10-12,25H2,1-2H3
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
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Article
PubMed
1.89E+3n/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)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50356586
PNG
(CHEMBL1910122)
Show SMILES CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28/h3-4,9H,5-8,10-12,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/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)

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


(Homo sapiens (human))
BDBM50356586
PNG
(CHEMBL1910122)
Show SMILES CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H25Cl2N5O2/c1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28/h3-4,9H,5-8,10-12,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.70E+4n/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)

More data for this
Ligand-Target Pair