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SMILES: N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O

InChI Key: InChIKey=MQOWMDPWQJBNJZ-ZJXHWGHKSA-N

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 4 hits for monomerid = 468958   
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


(Homo sapiens (Human))
BDBM468958
PNG
(1-[2-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H30F4N4O4/c32-20-5-7-24(33)23(11-20)28-26(36)12-22(16-43-28)38-14-18-4-6-21(10-19(18)15-38)39-9-8-31(42,30(39)41)29(40)37-13-17-2-1-3-25(34)27(17)35/h1-7,10-11,22,26,28,42H,8-9,12-16,36H2,(H,37,40)/t22-,26+,28-,31?/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.67n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...


US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Mus musculus (Mouse))
BDBM468958
PNG
(1-[2-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H30F4N4O4/c32-20-5-7-24(33)23(11-20)28-26(36)12-22(16-43-28)38-14-18-4-6-21(10-19(18)15-38)39-9-8-31(42,30(39)41)29(40)37-13-17-2-1-3-25(34)27(17)35/h1-7,10-11,22,26,28,42H,8-9,12-16,36H2,(H,37,40)/t22-,26+,28-,31?/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 33.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The compounds exemplified herein are tested essentially as described below and exhibit an IC50 for the human and mouse MetAP2 assay as shown in Table...


US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM468958
PNG
(1-[2-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H30F4N4O4/c32-20-5-7-24(33)23(11-20)28-26(36)12-22(16-43-28)38-14-18-4-6-21(10-19(18)15-38)39-9-8-31(42,30(39)41)29(40)37-13-17-2-1-3-25(34)27(17)35/h1-7,10-11,22,26,28,42H,8-9,12-16,36H2,(H,37,40)/t22-,26+,28-,31?/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The compounds exemplified herein are tested essentially as described below and exhibit an IC50 for the human and mouse MetAP2 assay as shown in Table...


US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Mus musculus)
BDBM468958
PNG
(1-[2-[(3R,5S,6R)-5-Amino- 6-(2,5- difluorophenyl)t...)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|
Show InChI InChI=1S/C31H30F4N4O4/c32-20-5-7-24(33)23(11-20)28-26(36)12-22(16-43-28)38-14-18-4-6-21(10-19(18)15-38)39-9-8-31(42,30(39)41)29(40)37-13-17-2-1-3-25(34)27(17)35/h1-7,10-11,22,26,28,42H,8-9,12-16,36H2,(H,37,40)/t22-,26+,28-,31?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.46n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 ...


US Patent US10807971 (2020)


BindingDB Entry DOI: 10.7270/Q2Z89GGJ
More data for this
Ligand-Target Pair