BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 6067   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107106
PNG
(US8592371, 7 | US9278976, (3S,5R)-5-[2-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H22F2N4O3S/c20-12-1-4-16(21)15(5-12)19-17(22)6-13(10-28-19)24-7-11-8-25(23-18(11)9-24)29(26,27)14-2-3-14/h1,4-5,8,13-14,17,19H,2-3,6-7,9-10,22H2/t13-,17+,19?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107103
PNG
(US8592371, 5 | US9278976, (3S,5R)-5-[2-(cyclopenta...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-8-12-9-28(26-20(12)10-27)32(29,30)14-3-1-2-4-14/h6-7,9,13-14,19,21H,1-5,8,10-11,25H2/t13-,19+,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107102
PNG
(US8592371, 4 | US9278976, (3S,5R)-5-[2-(cyclopenta...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H26F2N4O3S/c22-14-5-6-18(23)17(7-14)21-19(24)8-15(12-30-21)26-9-13-10-27(25-20(13)11-26)31(28,29)16-3-1-2-4-16/h5-7,10,15-16,19,21H,1-4,8-9,11-12,24H2/t15-,19+,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107104
PNG
(US8592371, 6 | US9278976, (3S,5R)-5-[1-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H22F2N4O3S/c20-12-1-4-16(21)15(5-12)19-17(22)6-13(10-28-19)24-8-11-7-23-25(18(11)9-24)29(26,27)14-2-3-14/h1,4-5,7,13-14,17,19H,2-3,6,8-10,22H2/t13-,17+,19?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107105
PNG
(US8592371, 8 | US9278976, (3S,5R)-5-[2-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H21F3N4O3S/c20-14-5-16(22)15(21)4-13(14)19-17(23)3-11(9-29-19)25-6-10-7-26(24-18(10)8-25)30(27,28)12-1-2-12/h4-5,7,11-12,17,19H,1-3,6,8-9,23H2/t11-,17+,19?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107100
PNG
(US8592371, 2 | US9278976, (3S,5R)-5-{2-methanesulf...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H19F3N4O3S/c1-28(25,26)24-6-9-5-23(7-16(9)22-24)10-2-15(21)17(27-8-10)11-3-13(19)14(20)4-12(11)18/h3-4,6,10,15,17H,2,5,7-8,21H2,1H3/t10-,15+,17?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107099
PNG
(US8592371, 1 | US9278976, (3S,5R)-2-(2,5-difluorop...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107101
PNG
(US8592371, 3)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-9-12-8-26-28(20(12)10-27)32(29,30)14-3-1-2-4-14/h6-8,13-14,19,21H,1-5,9-11,25H2/t13-,19+,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.60n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair