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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 1234   
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))
BDBM50198186
PNG
(CHEMBL3944427)
Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1S(C)(=O)=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F3NO4S/c1-28-19-8-11-10(5-20(19)30(2,26)27)3-4-18-12(11)7-17(25)21(29-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/an/a 1.10n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay


J Med Chem 59: 6772-90 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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CHEMBL
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PC cid
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PDB
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PDB
Article
PubMed
n/an/an/a 1.30n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay


J Med Chem 59: 6772-90 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50198181
PNG
(CHEMBL3941804)
Show SMILES COc1cc2ccc3O[C@@H]([C@@H](N)Cc3c2cc1OC)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/an/a 2.40n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay


J Med Chem 59: 6772-90 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50003020
PNG
(MK-3102 | OMARIGLIPTIN)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
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PubMed
n/an/an/a 2.80n/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay


J Med Chem 59: 6772-90 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF
More data for this
Ligand-Target Pair