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BDBM50324516 (6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone::CHEMBL1214942

SMILES: Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1

InChI Key: InChIKey=BULFOJDUFCMBCV-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 = 50324516   
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))
BDBM50324516
PNG
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 |(25.5,2.3,;24.2,1.48,;22.84,2.2,;21.54,1.39,;20.06,1.83,;19.2,.56,;20.14,-.66,;21.59,-.14,;22.94,-.87,;24.24,-.06,;25.61,-.79,;26.91,.02,;22.91,-2.4,;21.56,-3.14,;21.52,-4.68,;22.85,-5.48,;22.81,-7.02,;24.2,-4.73,;24.22,-3.19,;25.57,-2.45,;17.65,.51,;16.84,1.82,;16.93,-.85,;17.6,-2.22,;16.48,-3.29,;15.13,-2.56,;15.4,-1.04,)|
Show InChI InChI=1S/C19H19Cl2N5O/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-6-2-3-7-25/h4-5,8,10H,2-3,6-7,9,22H2,1H3
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Article
PubMed
1n/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))
BDBM50324516
PNG
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 |(25.5,2.3,;24.2,1.48,;22.84,2.2,;21.54,1.39,;20.06,1.83,;19.2,.56,;20.14,-.66,;21.59,-.14,;22.94,-.87,;24.24,-.06,;25.61,-.79,;26.91,.02,;22.91,-2.4,;21.56,-3.14,;21.52,-4.68,;22.85,-5.48,;22.81,-7.02,;24.2,-4.73,;24.22,-3.19,;25.57,-2.45,;17.65,.51,;16.84,1.82,;16.93,-.85,;17.6,-2.22,;16.48,-3.29,;15.13,-2.56,;15.4,-1.04,)|
Show InChI InChI=1S/C19H19Cl2N5O/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-6-2-3-7-25/h4-5,8,10H,2-3,6-7,9,22H2,1H3
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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))
BDBM50324516
PNG
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 |(25.5,2.3,;24.2,1.48,;22.84,2.2,;21.54,1.39,;20.06,1.83,;19.2,.56,;20.14,-.66,;21.59,-.14,;22.94,-.87,;24.24,-.06,;25.61,-.79,;26.91,.02,;22.91,-2.4,;21.56,-3.14,;21.52,-4.68,;22.85,-5.48,;22.81,-7.02,;24.2,-4.73,;24.22,-3.19,;25.57,-2.45,;17.65,.51,;16.84,1.82,;16.93,-.85,;17.6,-2.22,;16.48,-3.29,;15.13,-2.56,;15.4,-1.04,)|
Show InChI InChI=1S/C19H19Cl2N5O/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-6-2-3-7-25/h4-5,8,10H,2-3,6-7,9,22H2,1H3
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MMDB

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Article
PubMed
2.90n/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