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BDBM50324503 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide::CHEMBL1215235

SMILES: Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1

InChI Key: InChIKey=SGEZVWVVAANXJG-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50324503   
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))
BDBM50324503
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 |(7.53,-1.38,;6.23,-2.19,;4.87,-1.48,;3.57,-2.29,;2.09,-1.85,;1.23,-3.12,;2.17,-4.34,;3.62,-3.82,;4.97,-4.55,;6.27,-3.74,;7.64,-4.46,;8.94,-3.65,;4.94,-6.08,;3.58,-6.82,;3.55,-8.36,;4.88,-9.16,;4.84,-10.7,;6.23,-8.41,;6.25,-6.87,;7.6,-6.13,;-.32,-3.16,;-1.13,-1.86,;-1.04,-4.53,;-2.58,-4.57,;-3.39,-3.26,;-4.93,-3.29,;-5.44,-1.83,;-4.21,-.9,;-2.95,-1.78,)|
Show InChI InChI=1S/C20H17Cl2N5OS/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
2.5n/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))
BDBM50324503
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 |(7.53,-1.38,;6.23,-2.19,;4.87,-1.48,;3.57,-2.29,;2.09,-1.85,;1.23,-3.12,;2.17,-4.34,;3.62,-3.82,;4.97,-4.55,;6.27,-3.74,;7.64,-4.46,;8.94,-3.65,;4.94,-6.08,;3.58,-6.82,;3.55,-8.36,;4.88,-9.16,;4.84,-10.7,;6.23,-8.41,;6.25,-6.87,;7.6,-6.13,;-.32,-3.16,;-1.13,-1.86,;-1.04,-4.53,;-2.58,-4.57,;-3.39,-3.26,;-4.93,-3.29,;-5.44,-1.83,;-4.21,-.9,;-2.95,-1.78,)|
Show InChI InChI=1S/C20H17Cl2N5OS/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
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3.20n/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
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50324503
PNG
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)
Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 |(7.53,-1.38,;6.23,-2.19,;4.87,-1.48,;3.57,-2.29,;2.09,-1.85,;1.23,-3.12,;2.17,-4.34,;3.62,-3.82,;4.97,-4.55,;6.27,-3.74,;7.64,-4.46,;8.94,-3.65,;4.94,-6.08,;3.58,-6.82,;3.55,-8.36,;4.88,-9.16,;4.84,-10.7,;6.23,-8.41,;6.25,-6.87,;7.6,-6.13,;-.32,-3.16,;-1.13,-1.86,;-1.04,-4.53,;-2.58,-4.57,;-3.39,-3.26,;-4.93,-3.29,;-5.44,-1.83,;-4.21,-.9,;-2.95,-1.78,)|
Show InChI InChI=1S/C20H17Cl2N5OS/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

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PC cid
PC sid
UniChem

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Article
PubMed
5.60n/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