Found 276 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50371255
(CHEMBL1203953)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232520
((2R)-4-oxo-4-[3-(trifluoromethyl)-8-[2-(trifluorom...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)8-13(16)7-14(34)10-20(39)37-5-6-38-21(35-36-22(38)24(31,32)33)19(37)9-12-3-1-2-4-15(12)23(28,29)30/h1-4,8,11,14,19H,5-7,9-10,34H2/t14-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232520
((2R)-4-oxo-4-[3-(trifluoromethyl)-8-[2-(trifluorom...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)8-13(16)7-14(34)10-20(39)37-5-6-38-21(35-36-22(38)24(31,32)33)19(37)9-12-3-1-2-4-15(12)23(28,29)30/h1-4,8,11,14,19H,5-7,9-10,34H2/t14-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232506
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232518
((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232518
((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232503
((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...)Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6| Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232503
((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...)Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6| Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232501
((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232501
((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232506
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232506
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232510
((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232510
((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232507
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.5| Show InChI InChI=1S/C20H22F6N6O2/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11,15H,3-5,7,9,27H2,1-2H3/t11-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232507
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.5| Show InChI InChI=1S/C20H22F6N6O2/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11,15H,3-5,7,9,27H2,1-2H3/t11-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232502
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232511
((2R)-4-[8-ethyl-3-(trifluoromethyl)-5,6-dihydro[1,...)Show SMILES CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1| Show InChI InChI=1S/C18H19F6N5O/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10,14H,2-5,7,25H2,1H3/t10-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232511
((2R)-4-[8-ethyl-3-(trifluoromethyl)-5,6-dihydro[1,...)Show SMILES CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1| Show InChI InChI=1S/C18H19F6N5O/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10,14H,2-5,7,25H2,1H3/t10-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232508
((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232508
((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232519
((2R)-4-[8-[3,5-bis(trifluoromethyl)benzyl]-3-(trif...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C25H19F12N5O/c26-16-10-18(28)17(27)7-12(16)6-15(38)9-20(43)41-1-2-42-21(39-40-22(42)25(35,36)37)19(41)5-11-3-13(23(29,30)31)8-14(4-11)24(32,33)34/h3-4,7-8,10,15,19H,1-2,5-6,9,38H2/t15-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232519
((2R)-4-[8-[3,5-bis(trifluoromethyl)benzyl]-3-(trif...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C25H19F12N5O/c26-16-10-18(28)17(27)7-12(16)6-15(38)9-20(43)41-1-2-42-21(39-40-22(42)25(35,36)37)19(41)5-11-3-13(23(29,30)31)8-14(4-11)24(32,33)34/h3-4,7-8,10,15,19H,1-2,5-6,9,38H2/t15-,19?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Mus musculus) | BDBM50232502
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DPP4 at 1 mg/kg |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11162
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232514
((2R)-4-[8-allyl-3-(trifluoromethyl)-5,6-dihydro[[1...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C19H19F6N5O/c1-2-3-15-17-27-28-18(19(23,24)25)30(17)5-4-29(15)16(31)8-11(26)6-10-7-13(21)14(22)9-12(10)20/h2,7,9,11,15H,1,3-6,8,26H2/t11-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232514
((2R)-4-[8-allyl-3-(trifluoromethyl)-5,6-dihydro[[1...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C19H19F6N5O/c1-2-3-15-17-27-28-18(19(23,24)25)30(17)5-4-29(15)16(31)8-11(26)6-10-7-13(21)14(22)9-12(10)20/h2,7,9,11,15H,1,3-6,8,26H2/t11-,15?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232521
((2R)-4-[(6R)-6-methyl-3-(trifluoromethyl)-5,6-dihy...)Show SMILES C[C@@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F Show InChI InChI=1S/C17H17F6N5O/c1-8-6-28-14(25-26-16(28)17(21,22)23)7-27(8)15(29)4-10(24)2-9-3-12(19)13(20)5-11(9)18/h3,5,8,10H,2,4,6-7,24H2,1H3/t8-,10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Mus musculus) | BDBM11162
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DPP4 at 3 mg/kg |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232502
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232506
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232500
(((2R)-4-[(6S)-6-methyl-3-(trifluoromethyl)-5,6-dih...)Show SMILES C[C@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F Show InChI InChI=1S/C17H17F6N5O/c1-8-6-28-14(25-26-16(28)17(21,22)23)7-27(8)15(29)4-10(24)2-9-3-12(19)13(20)5-11(9)18/h3,5,8,10H,2,4,6-7,24H2,1H3/t8-,10+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232505
((2R)-4-[5,5-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1(C)CN(Cc2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C18H19F6N5O/c1-17(2)8-28(7-14-26-27-16(29(14)17)18(22,23)24)15(30)5-10(25)3-9-4-12(20)13(21)6-11(9)19/h4,6,10H,3,5,7-8,25H2,1-2H3/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232512
((2R)-4-[(8S)-8-(4-fluorobenzyl)-3-(trifluoromethyl...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50151843
((R)-3-Amino-1-((R)-2-benzyl-piperazin-1-yl)-4-(2-f...)Show SMILES N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F |r| Show InChI InChI=1S/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232524
((2R)-4-[8,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1(C)N(CCn2c(nnc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C18H19F6N5O/c1-17(2)15-26-27-16(18(22,23)24)28(15)3-4-29(17)14(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10H,3-5,7,25H2,1-2H3/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50232504
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50371255
(CHEMBL1203953)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232503
((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...)Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6| Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,20?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232510
((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,19?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 622 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232506
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 628 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232506
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 628 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232501
((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,19?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232508
((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50151819
((R)-3-Amino-4-(2-fluoro-phenyl)-1-piperazin-1-yl-b...)Show InChI InChI=1S/C14H20FN3O/c15-13-4-2-1-3-11(13)9-12(16)10-14(19)18-7-5-17-6-8-18/h1-4,12,17H,5-10,16H2/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232518
((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...)Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,18?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50232524
((2R)-4-[8,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)Show SMILES CC1(C)N(CCn2c(nnc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C18H19F6N5O/c1-17(2)15-26-27-16(18(22,23)24)28(15)3-4-29(17)14(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10H,3-5,7,25H2,1-2H3/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v
BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this
Ligand-Target Pair | |
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