Found 13 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)) | BDBM50134192
(CHEMBL3734828)Show SMILES CCS(=O)(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C18H23F2N5O3S/c1-2-29(26,27)24-18-13-7-25(8-16(13)22-23-18)11-6-15(21)17(28-9-11)12-5-10(19)3-4-14(12)20/h3-5,11,15,17H,2,6-9,21H2,1H3,(H2,22,23,24)/t11-,15+,17-/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134193
(CHEMBL3735461)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)CC(F)(F)F)c2C1 |r| Show InChI InChI=1S/C18H20F5N5O3S/c19-9-1-2-13(20)11(3-9)16-14(24)4-10(7-31-16)28-5-12-15(6-28)25-26-17(12)27-32(29,30)8-18(21,22)23/h1-3,10,14,16H,4-8,24H2,(H2,25,26,27)/t10-,14+,16-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134186
(CHEMBL3734964)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)C3CC3)c2C1 |r| Show InChI InChI=1S/C20H23F2N5O2/c21-11-3-4-15(22)13(5-11)18-16(23)6-12(9-29-18)27-7-14-17(8-27)25-26-19(14)24-20(28)10-1-2-10/h3-5,10,12,16,18H,1-2,6-9,23H2,(H2,24,25,26,28)/t12-,16+,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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134195
(CHEMBL3735433)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)Cc3ccncc3)c2C1 |r| Show InChI InChI=1S/C22H24F2N6O3S/c23-14-1-2-18(24)16(7-14)21-19(25)8-15(11-33-21)30-9-17-20(10-30)27-28-22(17)29-34(31,32)12-13-3-5-26-6-4-13/h1-7,15,19,21H,8-12,25H2,(H2,27,28,29)/t15-,19+,21-/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134194
(CHEMBL3734999)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)C3CC3)c2C1 |r| Show InChI InChI=1S/C19H23F2N5O3S/c20-10-1-4-15(21)13(5-10)18-16(22)6-11(9-29-18)26-7-14-17(8-26)23-24-19(14)25-30(27,28)12-2-3-12/h1,4-5,11-12,16,18H,2-3,6-9,22H2,(H2,23,24,25)/t11-,16+,18-/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134191
(CHEMBL3734769)Show SMILES CS(=O)(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H21F2N5O3S/c1-28(25,26)23-17-12-6-24(7-15(12)21-22-17)10-5-14(20)16(27-8-10)11-4-9(18)2-3-13(11)19/h2-4,10,14,16H,5-8,20H2,1H3,(H2,21,22,23)/t10-,14+,16-/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134190
(CHEMBL3735925)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)c3ccncc3)c2C1 |r| Show InChI InChI=1S/C22H22F2N6O2/c23-13-1-2-17(24)15(7-13)20-18(25)8-14(11-32-20)30-9-16-19(10-30)28-29-21(16)27-22(31)12-3-5-26-6-4-12/h1-7,14,18,20H,8-11,25H2,(H2,27,28,29,31)/t14-,18+,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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50134189
(CHEMBL3735129)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)c3nccs3)c2C1 |r| Show InChI InChI=1S/C20H20F2N6O2S/c21-10-1-2-14(22)12(5-10)17-15(23)6-11(9-30-17)28-7-13-16(8-28)26-27-18(13)25-19(29)20-24-3-4-31-20/h1-5,11,15,17H,6-9,23H2,(H2,25,26,27,29)/t11-,15+,17-/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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Bos taurus) | BDBM50134186
(CHEMBL3734964)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)C3CC3)c2C1 |r| Show InChI InChI=1S/C20H23F2N5O2/c21-11-3-4-15(22)13(5-11)18-16(23)6-12(9-29-18)27-7-14-17(8-27)25-26-19(14)24-20(28)10-1-2-10/h3-5,10,12,16,18H,1-2,6-9,23H2,(H2,24,25,26,28)/t12-,16+,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine serum FAP |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Bos taurus) | BDBM50134189
(CHEMBL3735129)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)c3nccs3)c2C1 |r| Show InChI InChI=1S/C20H20F2N6O2S/c21-10-1-2-14(22)12(5-10)17-15(23)6-11(9-30-17)28-7-13-16(8-28)26-27-18(13)25-19(29)20-24-3-4-31-20/h1-5,11,15,17H,6-9,23H2,(H2,25,26,27,29)/t11-,15+,17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine serum FAP |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Bos taurus) | BDBM50135020
(CHEMBL3736135)Show SMILES CCC(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C19H23F2N5O2/c1-2-17(27)23-19-13-7-26(8-16(13)24-25-19)11-6-15(22)18(28-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,18H,2,6-9,22H2,1H3,(H2,23,24,25,27)/t11-,15+,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine serum FAP |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Bos taurus) | BDBM50135009
(CHEMBL3736423)Show SMILES Cn1cnc(c1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C20H22F2N6O3S/c1-26-9-19(24-11-26)32(29,30)28-7-12-6-27(8-18(12)25-28)14-5-17(23)20(31-10-14)15-4-13(21)2-3-16(15)22/h2-4,7,9,11,14,17,20H,5-6,8,10,23H2,1H3/t14-,17+,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine serum FAP |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Bos taurus) | BDBM50135035
(CHEMBL3736067)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21F5N4O3S/c24-15-4-5-19(25)18(7-15)22-20(29)8-16(12-35-22)31-9-13-10-32(30-21(13)11-31)36(33,34)17-3-1-2-14(6-17)23(26,27)28/h1-7,10,16,20,22H,8-9,11-12,29H2/t16-,20+,22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of bovine serum FAP |
Bioorg Med Chem Lett 25: 5767-71 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S |
More data for this
Ligand-Target Pair | |
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