Found 473 hits with Last Name = 'mittal' and Initial = 'a' 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)) | BDBM50323167
((5-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-7-meth...)Show SMILES COc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(9.11,-30.79,;9.9,-32.12,;11.43,-32.11,;12.2,-30.77,;13.74,-30.76,;14.51,-32.09,;13.76,-33.43,;12.22,-33.44,;16.05,-32.08,;16.97,-33.32,;18.43,-32.84,;19.77,-33.6,;21.1,-32.82,;22.43,-33.59,;23.77,-32.82,;21.1,-31.29,;22.43,-30.51,;19.76,-30.52,;18.42,-31.29,;16.95,-30.83,;19.78,-35.13,;18.45,-35.9,;18.44,-37.45,;19.78,-38.22,;19.78,-39.76,;21.12,-37.45,;21.11,-35.9,;22.44,-35.12,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-8-5-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-3-6-15(28-2)7-4-13/h3-9,11H,10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323167
((5-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-7-meth...)Show SMILES COc1ccc(cc1)-c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(9.11,-30.79,;9.9,-32.12,;11.43,-32.11,;12.2,-30.77,;13.74,-30.76,;14.51,-32.09,;13.76,-33.43,;12.22,-33.44,;16.05,-32.08,;16.97,-33.32,;18.43,-32.84,;19.77,-33.6,;21.1,-32.82,;22.43,-33.59,;23.77,-32.82,;21.1,-31.29,;22.43,-30.51,;19.76,-30.52,;18.42,-31.29,;16.95,-30.83,;19.78,-35.13,;18.45,-35.9,;18.44,-37.45,;19.78,-38.22,;19.78,-39.76,;21.12,-37.45,;21.11,-35.9,;22.44,-35.12,)| Show InChI InChI=1S/C21H18Cl2N4O/c1-12-17(10-24)20(16-8-5-14(22)9-18(16)23)27-11-19(26-21(27)25-12)13-3-6-15(28-2)7-4-13/h3-9,11H,10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50323161
((5-(2,4-dichlorophenyl)-7-methyl-2-phenylimidazo[1...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)| Show InChI InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-17(15)22)26-11-18(25-20(26)24-12)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM154573
(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14) | PDB
MMDB
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UniChem
| Article
PubMed
| 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-substrate-inhibitor co... |
Bioorg Med Chem 22: 167-77 (2014)
Article DOI: 10.1016/j.bmc.2013.11.041
BindingDB Entry DOI: 10.7270/Q2G73HPP |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM154573
(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14) | PDB
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UniChem
| Article
PubMed
| 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-inhibitor complex by D... |
Bioorg Med Chem 22: 167-77 (2014)
Article DOI: 10.1016/j.bmc.2013.11.041
BindingDB Entry DOI: 10.7270/Q2G73HPP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323187
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methox...)Show SMILES COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(17.71,-13.96,;19.25,-13.95,;20.01,-12.61,;21.55,-12.6,;22.31,-11.26,;21.53,-9.93,;23.85,-11.25,;24.75,-10,;26.22,-10.46,;27.56,-9.69,;28.9,-10.46,;30.23,-9.68,;28.9,-12,;30.24,-12.76,;31.57,-11.99,;27.57,-12.77,;27.58,-14.3,;26.25,-15.07,;26.25,-16.62,;27.58,-17.39,;27.58,-18.93,;28.92,-16.62,;28.91,-15.07,;30.24,-14.29,;26.23,-12.01,;24.77,-12.49,)| Show InChI InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3 | PDB
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| CHEMBL
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UniChem
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| | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50323187
(6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methox...)Show SMILES COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(17.71,-13.96,;19.25,-13.95,;20.01,-12.61,;21.55,-12.6,;22.31,-11.26,;21.53,-9.93,;23.85,-11.25,;24.75,-10,;26.22,-10.46,;27.56,-9.69,;28.9,-10.46,;30.23,-9.68,;28.9,-12,;30.24,-12.76,;31.57,-11.99,;27.57,-12.77,;27.58,-14.3,;26.25,-15.07,;26.25,-16.62,;27.58,-17.39,;27.58,-18.93,;28.92,-16.62,;28.91,-15.07,;30.24,-14.29,;26.23,-12.01,;24.77,-12.49,)| Show InChI InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3 | PDB
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| CHEMBL
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UniChem
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| | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM47844
(4-chloranyl-N-(1-methylbenzimidazol-5-yl)benzamide...)Show InChI InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20) | PDB
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| Article
PubMed
| 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Competitive inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate by Dixon plot analysis |
Bioorg Med Chem 22: 167-77 (2014)
Article DOI: 10.1016/j.bmc.2013.11.041
BindingDB Entry DOI: 10.7270/Q2G73HPP |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50612350
(CHEMBL5275567)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(4.83,4.62,;3.5,3.85,;2.17,4.62,;.84,3.85,;-.63,4.31,;-1.55,3.06,;-.67,1.83,;.84,2.3,;2.17,1.54,;3.5,2.31,;4.83,1.54,;6.17,2.31,;2.17,-0,;.84,-.77,;.84,-2.31,;2.17,-3.08,;2.17,-4.62,;3.51,-2.31,;3.51,-.77,;4.84,-0,;-3.09,3.06,;-3.86,4.4,;-5.4,4.4,;-6.17,3.06,;-5.4,1.72,;-3.86,1.72,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50612350
(CHEMBL5275567)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(4.83,4.62,;3.5,3.85,;2.17,4.62,;.84,3.85,;-.63,4.31,;-1.55,3.06,;-.67,1.83,;.84,2.3,;2.17,1.54,;3.5,2.31,;4.83,1.54,;6.17,2.31,;2.17,-0,;.84,-.77,;.84,-2.31,;2.17,-3.08,;2.17,-4.62,;3.51,-2.31,;3.51,-.77,;4.84,-0,;-3.09,3.06,;-3.86,4.4,;-5.4,4.4,;-6.17,3.06,;-5.4,1.72,;-3.86,1.72,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50612351
(CHEMBL5269774)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(4.83,4.06,;3.5,3.29,;2.17,4.06,;.84,3.29,;-.63,3.75,;-1.55,2.5,;-.67,1.28,;.84,1.74,;2.17,.98,;3.5,1.75,;4.83,.98,;6.17,1.75,;2.17,-.56,;.84,-1.33,;.84,-2.87,;2.17,-3.63,;2.17,-5.17,;3.51,-2.86,;3.51,-1.33,;4.84,-.56,;-3.09,2.5,;-3.86,1.17,;-5.4,1.17,;-6.17,2.5,;-5.4,3.84,;-3.86,3.84,;-3.09,5.17,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50612351
(CHEMBL5269774)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(4.83,4.06,;3.5,3.29,;2.17,4.06,;.84,3.29,;-.63,3.75,;-1.55,2.5,;-.67,1.28,;.84,1.74,;2.17,.98,;3.5,1.75,;4.83,.98,;6.17,1.75,;2.17,-.56,;.84,-1.33,;.84,-2.87,;2.17,-3.63,;2.17,-5.17,;3.51,-2.86,;3.51,-1.33,;4.84,-.56,;-3.09,2.5,;-3.86,1.17,;-5.4,1.17,;-6.17,2.5,;-5.4,3.84,;-3.86,3.84,;-3.09,5.17,)| | PDB
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50612350
(CHEMBL5275567)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(4.83,4.62,;3.5,3.85,;2.17,4.62,;.84,3.85,;-.63,4.31,;-1.55,3.06,;-.67,1.83,;.84,2.3,;2.17,1.54,;3.5,2.31,;4.83,1.54,;6.17,2.31,;2.17,-0,;.84,-.77,;.84,-2.31,;2.17,-3.08,;2.17,-4.62,;3.51,-2.31,;3.51,-.77,;4.84,-0,;-3.09,3.06,;-3.86,4.4,;-5.4,4.4,;-6.17,3.06,;-5.4,1.72,;-3.86,1.72,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50612350
(CHEMBL5275567)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(4.83,4.62,;3.5,3.85,;2.17,4.62,;.84,3.85,;-.63,4.31,;-1.55,3.06,;-.67,1.83,;.84,2.3,;2.17,1.54,;3.5,2.31,;4.83,1.54,;6.17,2.31,;2.17,-0,;.84,-.77,;.84,-2.31,;2.17,-3.08,;2.17,-4.62,;3.51,-2.31,;3.51,-.77,;4.84,-0,;-3.09,3.06,;-3.86,4.4,;-5.4,4.4,;-6.17,3.06,;-5.4,1.72,;-3.86,1.72,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50612351
(CHEMBL5269774)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(4.83,4.06,;3.5,3.29,;2.17,4.06,;.84,3.29,;-.63,3.75,;-1.55,2.5,;-.67,1.28,;.84,1.74,;2.17,.98,;3.5,1.75,;4.83,.98,;6.17,1.75,;2.17,-.56,;.84,-1.33,;.84,-2.87,;2.17,-3.63,;2.17,-5.17,;3.51,-2.86,;3.51,-1.33,;4.84,-.56,;-3.09,2.5,;-3.86,1.17,;-5.4,1.17,;-6.17,2.5,;-5.4,3.84,;-3.86,3.84,;-3.09,5.17,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50612351
(CHEMBL5269774)Show SMILES Cc1nc2cc(nn2c(c1CO)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(4.83,4.06,;3.5,3.29,;2.17,4.06,;.84,3.29,;-.63,3.75,;-1.55,2.5,;-.67,1.28,;.84,1.74,;2.17,.98,;3.5,1.75,;4.83,.98,;6.17,1.75,;2.17,-.56,;.84,-1.33,;.84,-2.87,;2.17,-3.63,;2.17,-5.17,;3.51,-2.86,;3.51,-1.33,;4.84,-.56,;-3.09,2.5,;-3.86,1.17,;-5.4,1.17,;-6.17,2.5,;-5.4,3.84,;-3.86,3.84,;-3.09,5.17,)| | PDB
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| | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612314
(CHEMBL5279548)Show SMILES [H][C@]12CC(F)(F)[C@@]1([H])C[C@@H](C#N)N2C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:20:21:26:19.25.18,25:19:27:23.22.26,25:23:27:20.19.18,THB:24:23:27:20.19.18,20:19:27.21.22:26| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612314
(CHEMBL5279548)Show SMILES [H][C@]12CC(F)(F)[C@@]1([H])C[C@@H](C#N)N2C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:20:21:26:19.25.18,25:19:27:23.22.26,25:23:27:20.19.18,THB:24:23:27:20.19.18,20:19:27.21.22:26| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612333
(CHEMBL5267753)Show SMILES Cn1ccnc1S(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612337
(CHEMBL3736085)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612337
(CHEMBL3736085)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612336
(CHEMBL3735329)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612336
(CHEMBL3735329)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612335
(CHEMBL5276887)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612335
(CHEMBL5276887)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612334
(CHEMBL5283277)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612334
(CHEMBL5283277)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM107101
(US8592371, 3)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-9-12-8-26-28(20(12)10-27)32(29,30)14-3-1-2-4-14/h6-8,13-14,19,21H,1-5,9-11,25H2/t13-,19+,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM107101
(US8592371, 3)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-9-12-8-26-28(20(12)10-27)32(29,30)14-3-1-2-4-14/h6-8,13-14,19,21H,1-5,9-11,25H2/t13-,19+,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612332
(CHEMBL3736190)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612332
(CHEMBL3736190)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612331
(CHEMBL5277064)Show SMILES CC(C)S(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612331
(CHEMBL5277064)Show SMILES CC(C)S(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612330
(CHEMBL5275162)Show SMILES CCCS(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612330
(CHEMBL5275162)Show SMILES CCCS(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612329
(CHEMBL5273218)Show SMILES CCS(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612329
(CHEMBL5273218)Show SMILES CCS(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612328
(CHEMBL5268418)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612328
(CHEMBL5268418)Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612327
(CHEMBL5279910)Show SMILES CS(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612333
(CHEMBL5267753)Show SMILES Cn1ccnc1S(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612327
(CHEMBL5279910)Show SMILES CS(=O)(=O)n1ncc2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM222244
(6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...)Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27| Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM222244
(6-Iodo-N3-(3-nitrobenzylidene)-2-phenyl-N4-(thiazo...)Show SMILES [O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27| Show InChI InChI=1S/C24H17IN6O2S/c25-18-9-10-21-20(14-18)23(29-24-26-11-12-34-24)30(22(28-21)17-6-2-1-3-7-17)27-15-16-5-4-8-19(13-16)31(32)33/h1-15,23H,(H,26,29)/b27-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50612363
(CHEMBL5279474)Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCC[C@H]1CNC(=O)c1cc(c(F)cc1F)S(=O)(=O)N1CCC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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