Found 685 hits with Last Name = 'unami' and Initial = 'n' 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)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
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| DrugBank
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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CHEMBL
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PC cid
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| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
KEGG
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antibodypedia
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP8 |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391433
(CHEMBL2147070)Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r| Show InChI InChI=1S/C24H23ClFN5O3/c1-29-19-10-13(23(33)34)4-6-17(19)20-21(22(29)32)31(11-14-9-15(26)5-7-18(14)25)24(28-20)30-8-2-3-16(27)12-30/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H,33,34)/t16-/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 | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391470
(CHEMBL2147056)Show SMILES Cc1ccc(F)cc1Cn1c(nc2c1c(=O)n(C)c1cc(ccc21)C(O)=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H26FN5O3/c1-14-5-7-17(26)10-16(14)12-31-22-21(28-25(31)30-9-3-4-18(27)13-30)19-8-6-15(24(33)34)11-20(19)29(2)23(22)32/h5-8,10-11,18H,3-4,9,12-13,27H2,1-2H3,(H,33,34)/t18-/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 | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50228403
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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CHEMBL
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PC cid
PC sid
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063932
(CHEMBL3400965)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-20-22(12-17)33(2)26(36)25-24(20)32-28(34-11-5-7-19(31)14-34)35(25)13-18-6-3-4-8-21(18)30/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391443
(CHEMBL2147073)Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(O)=O |r| Show InChI InChI=1S/C24H24ClN5O3/c1-28-19-11-14(23(32)33)8-9-17(19)20-21(22(28)31)30(12-15-5-2-3-7-18(15)25)24(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H,32,33)/t16-/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 |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149846
(2''-Amino-6''-(2-cyclopropylmethoxy-6-hydroxy-phen...)Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCC1CC1 Show InChI InChI=1S/C21H24N4O2/c22-10-16-15(14-3-2-8-24-11-14)9-17(25-21(16)23)20-18(26)4-1-5-19(20)27-12-13-6-7-13/h1,4-5,9,13-14,24,26H,2-3,6-8,11-12H2,(H2,23,25) | PDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063933
(CHEMBL3400966)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)ccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C29H27ClFN5O6/c1-15-23(42-29(39)41-15)14-40-27(38)16-5-7-20-22(11-16)34(2)26(37)25-24(20)33-28(35-9-3-4-19(32)13-35)36(25)12-17-10-18(31)6-8-21(17)30/h5-8,10-11,19H,3-4,9,12-14,32H2,1-2H3/t19-/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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50225074
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391460
(CHEMBL2147083)Show SMILES Cn1c2ccc(CC(O)=O)cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r| Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-9-8-15(12-21(32)33)11-18(20)22-23(24(29)34)31(13-16-5-2-3-7-19(16)26)25(28-22)30-10-4-6-17(27)14-30/h2-3,5,7-9,11,17H,4,6,10,12-14,27H2,1H3,(H,32,33)/t17-/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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391449
(CHEMBL2147074)Show SMILES Cn1c2cc(CC(O)=O)ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r| Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-11-15(12-21(32)33)8-9-18(20)22-23(24(29)34)31(13-16-5-2-3-7-19(16)26)25(28-22)30-10-4-6-17(27)14-30/h2-3,5,7-9,11,17H,4,6,10,12-14,27H2,1H3,(H,32,33)/t17-/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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16285
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149839
(2''-Amino-6''-(2-cyclobutylmethoxy-6-hydroxy-pheny...)Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCC1CCC1 Show InChI InChI=1S/C22H26N4O2/c23-11-17-16(15-6-3-9-25-12-15)10-18(26-22(17)24)21-19(27)7-2-8-20(21)28-13-14-4-1-5-14/h2,7-8,10,14-15,25,27H,1,3-6,9,12-13H2,(H2,24,26) | PDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063931
(CHEMBL3400964)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4cc(F)ccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C29H27ClFN5O6/c1-15-23(42-29(39)41-15)14-40-27(38)16-5-8-22-20(11-16)24-25(26(37)34(22)2)36(12-17-10-18(31)6-7-21(17)30)28(33-24)35-9-3-4-19(32)13-35/h5-8,10-11,19H,3-4,9,12-14,32H2,1-2H3/t19-/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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391478
(CHEMBL2147069)Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r| Show InChI InChI=1S/C24H23ClFN5O3/c1-29-19-7-4-13(23(33)34)10-17(19)20-21(22(29)32)31(11-14-9-15(26)5-6-18(14)25)24(28-20)30-8-2-3-16(27)12-30/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H,33,34)/t16-/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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149833
(2''-Amino-6''-(2-hydroxy-6-isobutoxy-phenyl)-1,2,3...)Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-7-3-6-18(26)20(19)17-9-15(14-5-4-8-24-11-14)16(10-22)21(23)25-17/h3,6-7,9,13-14,24,26H,4-5,8,11-12H2,1-2H3,(H2,23,25) | PDB
NCI pathway
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 |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149832
(2''-Amino-6''-(2-hydroxy-6-propoxy-phenyl)-1,2,3,4...)Show InChI InChI=1S/C20H24N4O2/c1-2-9-26-18-7-3-6-17(25)19(18)16-10-14(13-5-4-8-23-12-13)15(11-21)20(22)24-16/h3,6-7,10,13,23,25H,2,4-5,8-9,12H2,1H3,(H2,22,24) | PDB
NCI pathway
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 |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391453
(CHEMBL2147082)Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(O)=O |r| Show InChI InChI=1S/C24H24ClN5O3/c1-28-19-9-8-14(23(32)33)11-17(19)20-21(22(28)31)30(12-15-5-2-3-7-18(15)25)24(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H,32,33)/t16-/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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063930
(CHEMBL3400963)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-22-20(12-17)24-25(26(36)33(22)2)35(13-18-6-3-4-8-21(18)30)28(32-24)34-11-5-7-19(31)14-34/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149838
(2''-Amino-6''-(2-hydroxy-6-pentyloxy-phenyl)-1,2,3...)Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-11-28-20-9-5-8-19(27)21(20)18-12-16(15-7-6-10-25-14-15)17(13-23)22(24)26-18/h5,8-9,12,15,25,27H,2-4,6-7,10-11,14H2,1H3,(H2,24,26) | PDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391442
(CHEMBL2147072)Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C#N |r| Show InChI InChI=1S/C24H23ClN6O/c1-29-20-11-15(12-26)8-9-18(20)21-22(23(29)32)31(13-16-5-2-3-7-19(16)25)24(28-21)30-10-4-6-17(27)14-30/h2-3,5,7-9,11,17H,4,6,10,13-14,27H2,1H3/t17-/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 |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149825
(2-Amino-6-(2-cyclopropylmethoxy-6-hydroxy-phenyl)-...)Show SMILES Nc1nc(cc(C2CCNCC2)c1C#N)-c1c(O)cccc1OCC1CC1 Show InChI InChI=1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149843
(2''-Amino-6''-(2-benzyloxy-6-hydroxy-phenyl)-1,2,3...)Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCc1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,27,29H,5,8,11,14-15H2,(H2,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391480
(CHEMBL2147071)Show SMILES CN(C)C(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H29ClN6O2/c1-30(2)24(34)16-10-11-19-21(13-16)31(3)25(35)23-22(19)29-26(32-12-6-8-18(28)15-32)33(23)14-17-7-4-5-9-20(17)27/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3/t18-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391463
(CHEMBL2147058)Show SMILES Cc1ccccc1Cn1c(nc2c1c(=O)n(C)c1ccc(cc21)C(O)=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H27N5O3/c1-15-6-3-4-7-17(15)13-30-22-21(27-25(30)29-11-5-8-18(26)14-29)19-12-16(24(32)33)9-10-20(19)28(2)23(22)31/h3-4,6-7,9-10,12,18H,5,8,11,13-14,26H2,1-2H3,(H,32,33)/t18-/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 |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149828
(2-Amino-6-(2-cyclobutylmethoxy-6-hydroxy-phenyl)-1...)Show SMILES Nc1nc(cc(C2CCNCC2)c1C#N)-c1c(O)cccc1OCC1CCC1 Show InChI InChI=1S/C22H26N4O2/c23-12-17-16(15-7-9-25-10-8-15)11-18(26-22(17)24)21-19(27)5-2-6-20(21)28-13-14-3-1-4-14/h2,5-6,11,14-15,25,27H,1,3-4,7-10,13H2,(H2,24,26) | PDB
NCI pathway
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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391479
(CHEMBL2147196)Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(N)=O |r| Show InChI InChI=1S/C24H25ClN6O2/c1-29-19-11-14(22(27)32)8-9-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32)/t16-/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 |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391471
(CHEMBL2147081)Show SMILES CN(C)C(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C26H29ClN6O2/c1-30(2)24(34)16-10-11-21-19(13-16)22-23(25(35)31(21)3)33(14-17-7-4-5-9-20(17)27)26(29-22)32-12-6-8-18(28)15-32/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3/t18-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391476
(CHEMBL2147080)Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(N)=O |r| Show InChI InChI=1S/C24H25ClN6O2/c1-29-19-9-8-14(22(27)32)11-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32)/t16-/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149831
(2''-Amino-6''-(2-heptyloxy-6-hydroxy-phenyl)-1,2,3...)Show SMILES CCCCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Show InChI InChI=1S/C24H32N4O2/c1-2-3-4-5-6-13-30-22-11-7-10-21(29)23(22)20-14-18(17-9-8-12-27-16-17)19(15-25)24(26)28-20/h7,10-11,14,17,27,29H,2-6,8-9,12-13,16H2,1H3,(H2,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149852
(2''-Amino-6''-(2-ethoxy-6-hydroxy-phenyl)-1,2,3,4,...)Show InChI InChI=1S/C19H22N4O2/c1-2-25-17-7-3-6-16(24)18(17)15-9-13(12-5-4-8-22-11-12)14(10-20)19(21)23-15/h3,6-7,9,12,22,24H,2,4-5,8,11H2,1H3,(H2,21,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149850
(2-Amino-6-(2-butoxy-6-hydroxy-phenyl)-1'',2'',3'',...)Show SMILES CCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C21H26N4O2/c1-2-3-11-27-19-6-4-5-18(26)20(19)17-12-15(14-7-9-24-10-8-14)16(13-22)21(23)25-17/h4-6,12,14,24,26H,2-3,7-11H2,1H3,(H2,23,25) | PDB
NCI pathway
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149837
(2-Amino-6-(2-hydroxy-6-isobutoxy-phenyl)-1'',2'',3...)Show SMILES CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C21H26N4O2/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25) | PDB
NCI pathway
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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149842
(2''-Amino-6''-(2,6-dihydroxy-phenyl)-1,2,3,4,5,6-h...)Show InChI InChI=1S/C17H18N4O2/c18-8-12-11(10-3-2-6-20-9-10)7-13(21-17(12)19)16-14(22)4-1-5-15(16)23/h1,4-5,7,10,20,22-23H,2-3,6,9H2,(H2,19,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391473
(CHEMBL2147195)Show SMILES COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-12-15(24(33)34-2)9-10-18(20)21-22(23(29)32)31(13-16-6-3-4-8-19(16)26)25(28-21)30-11-5-7-17(27)14-30/h3-4,6,8-10,12,17H,5,7,11,13-14,27H2,1-2H3/t17-/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391436
(CHEMBL2147085)Show SMILES Cn1c2cccc(CC(O)=O)c2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r| Show InChI InChI=1S/C25H26ClN5O3/c1-29-19-10-4-7-15(12-20(32)33)21(19)22-23(24(29)34)31(13-16-6-2-3-9-18(16)26)25(28-22)30-11-5-8-17(27)14-30/h2-4,6-7,9-10,17H,5,8,11-14,27H2,1H3,(H,32,33)/t17-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391445
(CHEMBL2147194)Show SMILES COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C25H28ClN5O2/c1-29-21-12-16(15-33-2)9-10-19(21)22-23(24(29)32)31(13-17-6-3-4-8-20(17)26)25(28-22)30-11-5-7-18(27)14-30/h3-4,6,8-10,12,18H,5,7,11,13-15,27H2,1-2H3/t18-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
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 |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149826
(2-Amino-6-(2-hydroxy-6-pentyloxy-phenyl)-1'',2'',3...)Show SMILES CCCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C22H28N4O2/c1-2-3-4-12-28-20-7-5-6-19(27)21(20)18-13-16(15-8-10-25-11-9-15)17(14-23)22(24)26-18/h5-7,13,15,25,27H,2-4,8-12H2,1H3,(H2,24,26) | PDB
NCI pathway
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391475
(CHEMBL2147079)Show SMILES COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-10-9-15(24(33)34-2)12-18(20)21-22(23(29)32)31(13-16-6-3-4-8-19(16)26)25(28-21)30-11-5-7-17(27)14-30/h3-4,6,8-10,12,17H,5,7,11,13-14,27H2,1-2H3/t17-/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391472
(CHEMBL2147183)Show SMILES Cn1c2cc(CO)ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r| Show InChI InChI=1S/C24H26ClN5O2/c1-28-20-11-15(14-31)8-9-18(20)21-22(23(28)32)30(12-16-5-2-3-7-19(16)25)24(27-21)29-10-4-6-17(26)13-29/h2-3,5,7-9,11,17,31H,4,6,10,12-14,26H2,1H3/t17-/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149840
(2-Amino-6-(2-hydroxy-6-propoxy-phenyl)-1'',2'',3''...)Show InChI InChI=1S/C20H24N4O2/c1-2-10-26-18-5-3-4-17(25)19(18)16-11-14(13-6-8-23-9-7-13)15(12-21)20(22)24-16/h3-5,11,13,23,25H,2,6-10H2,1H3,(H2,22,24) | PDB
NCI pathway
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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149834
(2-Amino-6-(2-hexyloxy-6-hydroxy-phenyl)-1'',2'',3'...)Show SMILES CCCCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Show InChI InChI=1S/C23H30N4O2/c1-2-3-4-5-13-29-21-8-6-7-20(28)22(21)19-14-17(16-9-11-26-12-10-16)18(15-24)23(25)27-19/h6-8,14,16,26,28H,2-5,9-13H2,1H3,(H2,25,27) | PDB
NCI pathway
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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391455
(CHEMBL2147068)Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(Cl)ccc3Cl)c2c1=O)C(O)=O |r| Show InChI InChI=1S/C24H23Cl2N5O3/c1-29-19-7-4-13(23(33)34)10-17(19)20-21(22(29)32)31(11-14-9-15(25)5-6-18(14)26)24(28-20)30-8-2-3-16(27)12-30/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H,33,34)/t16-/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149806
(2''-Amino-6''-(2-hydroxy-phenyl)-1,2,3,4,5,6-hexah...)Show InChI InChI=1S/C17H18N4O/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21) | PDB
NCI pathway
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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149835
(2''-Amino-6''-(2-cyclohexylmethoxy-6-hydroxy-pheny...)Show SMILES Nc1nc(cc(C2CCCNC2)c1C#N)-c1c(O)cccc1OCC1CCCCC1 Show InChI InChI=1S/C24H30N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h4,9-10,12,16-17,27,29H,1-3,5-8,11,14-15H2,(H2,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50149836
(2''-Amino-6''-(2-hydroxy-6-methoxy-phenyl)-1,2,3,4...)Show InChI InChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(23)17(16)14-8-12(11-4-3-7-21-10-11)13(9-19)18(20)22-14/h2,5-6,8,11,21,23H,3-4,7,10H2,1H3,(H2,20,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto 619-0216
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta) |
Bioorg Med Chem Lett 14: 4019-22 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.041
BindingDB Entry DOI: 10.7270/Q2JM293M |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50391464
(CHEMBL2147059)Show SMILES COc1ccccc1Cn1c(nc2c1c(=O)n(C)c1ccc(cc21)C(O)=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H27N5O4/c1-28-19-10-9-15(24(32)33)12-18(19)21-22(23(28)31)30(13-16-6-3-4-8-20(16)34-2)25(27-21)29-11-5-7-17(26)14-29/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3,(H,32,33)/t17-/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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
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