BindingDB logo
myBDB logout

13 similar compounds to monomer 107103

Wt: 398.4
BDBM50003020
Purchase
Wt: 452.5
BDBM107102
Wt: 424.4
BDBM107104
Wt: 442.4
BDBM107105
Wt: 424.4
BDBM107106
Wt: 398.4
BDBM107099
Purchase
Wt: 416.4
BDBM107100
Wt: 452.5
BDBM107101
Wt: 470.5
BDBM150240
Wt: 412.4
BDBM150233
Wt: 438.4
BDBM150238
Wt: 466.5
BDBM150239
Wt: 452.5
BDBM150245

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50003020,107102,107104,107105,107106,107099,107100,107101,150240,150233,150238,150239,150245   
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of DPP4 (unknown origin)


J Med Chem 57: 3205-12 (2014)

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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150233
PNG
(US8980929, Example Compound 1)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H22F2N4O3S/c1-28(25,26)24-9-11-8-23(10-17(11)22-24)13-4-5-27-18(16(21)7-13)14-6-12(19)2-3-15(14)20/h2-3,6,9,13,16,18H,4-5,7-8,10,21H2,1H3/t13-,16-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150238
PNG
(US8980929, Example Compound 6)
Show SMILES N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C20H24F2N4O3S/c21-13-1-4-17(22)16(7-13)20-18(23)8-14(5-6-29-20)25-9-12-10-26(24-19(12)11-25)30(27,28)15-2-3-15/h1,4,7,10,14-15,18,20H,2-3,5-6,8-9,11,23H2/t14-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150239
PNG
(US8980929, Example Compound 7)
Show SMILES Cc1c2CN(Cc2nn1S(=O)(=O)C1(C)CC1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C22H28F2N4O3S/c1-13-17-11-27(12-20(17)26-28(13)32(29,30)22(2)6-7-22)15-5-8-31-21(19(25)10-15)16-9-14(23)3-4-18(16)24/h3-4,9,15,19,21H,5-8,10-12,25H2,1-2H3/t15-,19-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150240
PNG
(US8980929, Example Compound 14 | US8980929, Exampl...)
Show SMILES CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H25F3N4O3S/c1-21(3-4-21)32(29,30)28-10-12-9-27(11-19(12)26-28)13-2-5-31-20(18(25)6-13)14-7-16(23)17(24)8-15(14)22/h7-8,10,13,18,20H,2-6,9,11,25H2,1H3/t13-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150245
PNG
(US8980929, Example Compound 13)
Show SMILES CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C21H26F2N4O3S/c1-21(5-6-21)31(28,29)27-11-13-10-26(12-19(13)25-27)15-4-7-30-20(18(24)9-15)16-8-14(22)2-3-17(16)23/h2-3,8,11,15,18,20H,4-7,9-10,12,24H2,1H3/t15-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150240
PNG
(US8980929, Example Compound 14 | US8980929, Exampl...)
Show SMILES CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H25F3N4O3S/c1-21(3-4-21)32(29,30)28-10-12-9-27(11-19(12)26-28)13-2-5-31-20(18(25)6-13)14-7-16(23)17(24)8-15(14)22/h7-8,10,13,18,20H,2-6,9,11,25H2,1H3/t13-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.70E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.70E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Endopeptidase prolyl oligopeptidase (PREP)


(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.70E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of PEP (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.70E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.70E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Mus musculus)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in mouse plasma


J Med Chem 57: 3205-12 (2014)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK-499 displacement binding analysis


J Med Chem 57: 3205-12 (2014)

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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of DPP4 (unknown origin)


J Med Chem 57: 3205-12 (2014)

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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
AffyNet 
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.


Citation and Details
More data for this
Ligand-Target Pair