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BDBM50324506 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide::CHEMBL1215300

SMILES: Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1

InChI Key: InChIKey=LIYWUYXZEMBQEH-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 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))
BDBM50324506
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 |(7.8,-1.45,;6.49,-2.27,;5.14,-1.55,;3.84,-2.36,;2.36,-1.92,;1.5,-3.2,;2.43,-4.42,;3.89,-3.9,;5.24,-4.63,;6.55,-3.82,;7.91,-4.54,;9.21,-3.73,;5.21,-6.16,;3.86,-6.9,;3.83,-8.44,;5.15,-9.24,;5.12,-10.78,;6.5,-8.48,;6.52,-6.94,;7.87,-6.2,;-.05,-3.24,;-.86,-1.94,;-.77,-4.6,;-2.31,-4.64,;-3.04,-6,;-2.63,-7.49,;-3.9,-8.34,;-5.12,-7.39,;-4.59,-5.95,)|
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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Article
PubMed
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 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 |(7.8,-1.45,;6.49,-2.27,;5.14,-1.55,;3.84,-2.36,;2.36,-1.92,;1.5,-3.2,;2.43,-4.42,;3.89,-3.9,;5.24,-4.63,;6.55,-3.82,;7.91,-4.54,;9.21,-3.73,;5.21,-6.16,;3.86,-6.9,;3.83,-8.44,;5.15,-9.24,;5.12,-10.78,;6.5,-8.48,;6.52,-6.94,;7.87,-6.2,;-.05,-3.24,;-.86,-1.94,;-.77,-4.6,;-2.31,-4.64,;-3.04,-6,;-2.63,-7.49,;-3.9,-8.34,;-5.12,-7.39,;-4.59,-5.95,)|
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 |(7.8,-1.45,;6.49,-2.27,;5.14,-1.55,;3.84,-2.36,;2.36,-1.92,;1.5,-3.2,;2.43,-4.42,;3.89,-3.9,;5.24,-4.63,;6.55,-3.82,;7.91,-4.54,;9.21,-3.73,;5.21,-6.16,;3.86,-6.9,;3.83,-8.44,;5.15,-9.24,;5.12,-10.78,;6.5,-8.48,;6.52,-6.94,;7.87,-6.2,;-.05,-3.24,;-.86,-1.94,;-.77,-4.6,;-2.31,-4.64,;-3.04,-6,;-2.63,-7.49,;-3.9,-8.34,;-5.12,-7.39,;-4.59,-5.95,)|
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)
PDB
MMDB

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Article
PubMed
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