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BDBM50324518 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide::CHEMBL1214944

SMILES: Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1

InChI Key: InChIKey=MKQAIAUZISXSET-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 = 50324518   
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 9


(Homo sapiens (Human))
BDBM50324518
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1 |(3.78,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.06,1.68,;-4.87,2.98,;-4.79,.32,;-6.33,.27,;-7.07,-1.1,;-8.62,-1.13,;-9.43,.18,;-8.7,1.54,;-7.16,1.59,)|
Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28)
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Article
PubMed
1.5n/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 VIII


(Homo sapiens (Human))
BDBM50324518
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1 |(3.78,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.06,1.68,;-4.87,2.98,;-4.79,.32,;-6.33,.27,;-7.07,-1.1,;-8.62,-1.13,;-9.43,.18,;-8.7,1.54,;-7.16,1.59,)|
Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28)
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Article
PubMed
2.20n/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))
BDBM50324518
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1 |(3.78,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.06,1.68,;-4.87,2.98,;-4.79,.32,;-6.33,.27,;-7.07,-1.1,;-8.62,-1.13,;-9.43,.18,;-8.7,1.54,;-7.16,1.59,)|
Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28)
PDB
MMDB

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Article
PubMed
3.10n/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