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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'zeng' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431782
PNG
(CHEMBL2347039)
Show SMILES CC#CCn1c(nc2ccn(Cc3nc(C)c4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H27N7O/c1-3-4-13-32-24(33)23-21(29-25(32)31-12-7-8-18(26)15-31)11-14-30(23)16-22-27-17(2)19-9-5-6-10-20(19)28-22/h5-6,9-11,14,18H,7-8,12-13,15-16,26H2,1-2H3/t18-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a 2.34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a 2.64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16285
PNG
(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
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n/an/a 3.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431785
PNG
(CHEMBL2347036)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccc(F)cc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H25FN6O/c1-2-3-12-32-24(33)23-21(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-9-7-17-6-8-18(26)14-22(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431784
PNG
(CHEMBL2347037)
Show SMILES CC#CCn1c(nc2ccn(Cc3cnc4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C24H25N7O/c1-2-3-12-31-23(32)22-21(28-24(31)30-11-6-7-17(25)15-30)10-13-29(22)16-18-14-26-19-8-4-5-9-20(19)27-18/h4-5,8-10,13-14,17H,6-7,11-12,15-16,25H2,1H3/t17-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431791
PNG
(CHEMBL2346926)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H26N6O/c1-2-3-14-31-24(32)23-22(28-25(31)30-13-6-8-19(26)16-30)12-15-29(23)17-20-11-10-18-7-4-5-9-21(18)27-20/h4-5,7,9-12,15,19H,6,8,13-14,16-17,26H2,1H3/t19-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431786
PNG
(CHEMBL2347035)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccc(Cl)cc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H25ClN6O/c1-2-3-12-32-24(33)23-21(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-9-7-17-6-8-18(26)14-22(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a 13.8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431788
PNG
(CHEMBL2346929)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(F)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H25FN6O/c1-2-3-12-32-24(33)23-22(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-8-6-17-14-18(26)7-9-21(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431783
PNG
(CHEMBL2347038)
Show SMILES CC#CCn1c(nc2ccn(Cc3nc4ccccc4nc3C)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H27N7O/c1-3-4-13-32-24(33)23-21(29-25(32)31-12-7-8-18(26)15-31)11-14-30(23)16-22-17(2)27-19-9-5-6-10-20(19)28-22/h5-6,9-11,14,18H,7-8,12-13,15-16,26H2,1-2H3/t18-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431793
PNG
(CHEMBL2346924)
Show SMILES CC#CCn1c(nc2ccn(Cc3nc4ccccc4[nH]3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25N7O/c1-2-3-12-30-22(31)21-19(27-23(30)29-11-6-7-16(24)14-29)10-13-28(21)15-20-25-17-8-4-5-9-18(17)26-20/h4-5,8-10,13,16H,6-7,11-12,14-15,24H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431794
PNG
(CHEMBL2346923)
Show SMILES CC#CCn1c(nc2ccn(Cc3c[nH]c4ccccc34)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C24H26N6O/c1-2-3-12-30-23(31)22-21(27-24(30)29-11-6-7-18(25)16-29)10-13-28(22)15-17-14-26-20-9-5-4-8-19(17)20/h4-5,8-10,13-14,18,26H,6-7,11-12,15-16,25H2,1H3/t18-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431795
PNG
(CHEMBL2346922)
Show SMILES CC#CCn1c(nc2ccn(Cc3ncccn3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C20H23N7O/c1-2-3-11-27-19(28)18-16(24-20(27)26-10-4-6-15(21)13-26)7-12-25(18)14-17-22-8-5-9-23-17/h5,7-9,12,15H,4,6,10-11,13-14,21H2,1H3/t15-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431792
PNG
(CHEMBL2346925)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccnc4ccccc34)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H26N6O/c1-2-3-14-31-24(32)23-22(28-25(31)30-13-6-7-19(26)17-30)11-15-29(23)16-18-10-12-27-21-9-5-4-8-20(18)21/h4-5,8-12,15,19H,6-7,13-14,16-17,26H2,1H3/t19-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/a 49n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


Bioorg Med Chem Lett 20: 6008-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.072
BindingDB Entry DOI: 10.7270/Q28S4Q41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431787
PNG
(CHEMBL2346930)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(C)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C26H28N6O/c1-3-4-13-32-25(33)24-23(29-26(32)31-12-5-6-20(27)16-31)11-14-30(24)17-21-9-8-19-15-18(2)7-10-22(19)28-21/h7-11,14-15,20H,5-6,12-13,16-17,27H2,1-2H3/t20-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 54n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


Bioorg Med Chem Lett 20: 6008-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.072
BindingDB Entry DOI: 10.7270/Q28S4Q41
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431789
PNG
(CHEMBL2346928)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(Cl)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H25ClN6O/c1-2-3-12-32-24(33)23-22(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-8-6-17-14-18(26)7-9-21(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431790
PNG
(CHEMBL2346927)
Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(Br)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H25BrN6O/c1-2-3-12-32-24(33)23-22(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-8-6-17-14-18(26)7-9-21(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1
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n/an/a 139n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431781
PNG
(CHEMBL2346919)
Show SMILES CC#CCn1c(nc2ccn(C)c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C16H21N5O/c1-3-4-9-21-15(22)14-13(7-10-19(14)2)18-16(21)20-8-5-6-12(17)11-20/h7,10,12H,5-6,8-9,11,17H2,1-2H3/t12-/m1/s1
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n/an/a 212n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 240n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


Bioorg Med Chem Lett 20: 6008-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.072
BindingDB Entry DOI: 10.7270/Q28S4Q41
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431796
PNG
(CHEMBL2346921)
Show SMILES CC#CCn1c(nc2cc[nH]c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C15H19N5O/c1-2-3-9-20-14(21)13-12(6-7-17-13)18-15(20)19-8-4-5-11(16)10-19/h6-7,11,17H,4-5,8-10,16H2,1H3/t11-/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50431797
PNG
(CHEMBL2346920)
Show SMILES CC#CCn1c(nc2c(Br)c[nH]c2c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C15H18BrN5O/c1-2-3-7-21-14(22)13-12(11(16)8-18-13)19-15(21)20-6-4-5-10(17)9-20/h8,10,18H,4-7,9,17H2,1H3/t10-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 5.23E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 20: 6008-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.072
BindingDB Entry DOI: 10.7270/Q28S4Q41
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50259596
PNG
((+/-)-cis-2,3-Dihydro-3,6-dihydroxy-5,7-dimethoxy-...)
Show SMILES COc1ccc(cc1OC)[C@@H]1Oc2cc(OC)c(O)c(OC)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C19H20O8/c1-23-10-6-5-9(7-11(10)24-2)18-17(22)16(21)14-12(27-18)8-13(25-3)15(20)19(14)26-4/h5-8,17-18,20,22H,1-4H3/t17-,18-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry


Bioorg Med Chem 17: 3414-25 (2009)


Article DOI: 10.1016/j.bmc.2009.03.032
BindingDB Entry DOI: 10.7270/Q25D8RR9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 2.12E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry


J Med Chem 52: 7732-52 (2009)


Article DOI: 10.1021/jm900735p
BindingDB Entry DOI: 10.7270/Q2CF9R2X
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 2.35E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry


Bioorg Med Chem 17: 3414-25 (2009)


Article DOI: 10.1016/j.bmc.2009.03.032
BindingDB Entry DOI: 10.7270/Q25D8RR9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM16285
PNG
(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
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16285
PNG
(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
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50381854
PNG
(CHEMBL2022467)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-16-8-15-17(23-16)24-19(25-7-3-6-14(22)11-25)26(18(15)27)10-13-5-2-1-4-12(13)9-21/h1-2,4-5,8,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50381856
PNG
(CHEMBL2022464)
Show SMILES Cc1cc2c(nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O/c1-13-9-17-18(23-13)24-20(25-8-4-7-16(22)12-25)26(19(17)27)11-15-6-3-2-5-14(15)10-21/h2-3,5-6,9,16,23H,4,7-8,11-12,22H2,1H3/t16-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 20: 6008-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.072
BindingDB Entry DOI: 10.7270/Q28S4Q41
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 20: 6008-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.072
BindingDB Entry DOI: 10.7270/Q28S4Q41
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50378419
PNG
(CHEMBL570882)
Show SMILES CCOC(=O)COc1cc(O)c2c(c1)oc(-c1ccc3OC(CO)C(Oc3c1)c1ccc(OCC(=O)OCC)c(OC)c1)c(O)c2=O
Show InChI InChI=1S/C33H32O14/c1-4-41-27(36)15-43-19-12-20(35)29-25(13-19)47-33(31(39)30(29)38)18-7-9-22-24(11-18)46-32(26(14-34)45-22)17-6-8-21(23(10-17)40-3)44-16-28(37)42-5-2/h6-13,26,32,34-35,39H,4-5,14-16H2,1-3H3
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n/an/a 7.08E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry


J Med Chem 52: 7732-52 (2009)


Article DOI: 10.1021/jm900735p
BindingDB Entry DOI: 10.7270/Q2CF9R2X
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM60989
PNG
((3S)-2-[(2S,3S)-2-(hydroxymethyl)-3-(3-methoxy-4-o...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)C1Oc2cc(O)cc(O)c2C(O)C1=O
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25?/m0/s1
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n/an/a 8.03E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry


J Med Chem 52: 7732-52 (2009)


Article DOI: 10.1021/jm900735p
BindingDB Entry DOI: 10.7270/Q2CF9R2X
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50084979
PNG
(3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O
Show InChI InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-28,30-31H,10H2,1H3
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n/an/a 8.03E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry


J Med Chem 52: 7732-52 (2009)


Article DOI: 10.1021/jm900735p
BindingDB Entry DOI: 10.7270/Q2CF9R2X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50440472
PNG
(CHEMBL2425895)
Show SMILES CC#CCn1c(cc(=O)n(Cc2cc(Cl)c3ccccc3n2)c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H24ClN5O2/c1-2-3-11-28-21(27-10-6-7-16(25)14-27)13-22(30)29(23(28)31)15-17-12-19(24)18-8-4-5-9-20(18)26-17/h4-5,8-9,12-13,16H,6-7,10-11,14-15,25H2,1H3/t16-/m1/s1
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n/an/a 8.45E+4n/an/an/an/an/an/a



First Affiliated Hospital of Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP-9 (unknown origin)


Eur J Med Chem 68: 312-20 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.010
BindingDB Entry DOI: 10.7270/Q23J3FDZ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50258903
PNG
(+/-)-trans-2,3-Dihydro-3-hydroxy-5,6,7-trimethoxy-...)
Show SMILES COc1cc2O[C@@H]([C@@H](O)C(=O)c2c(OC)c1OC)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H18O8/c1-23-12-7-11-13(18(25-3)17(12)24-2)14(21)15(22)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,15-16,19-20,22H,1-3H3/t15-,16+/m0/s1
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n/an/a 9.67E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry


Bioorg Med Chem 17: 3414-25 (2009)


Article DOI: 10.1016/j.bmc.2009.03.032
BindingDB Entry DOI: 10.7270/Q25D8RR9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50440467
PNG
(CHEMBL2425886)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ccc3ccccc3n2)c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25N5O2/c1-2-3-13-27-21(26-12-6-8-18(24)15-26)14-22(29)28(23(27)30)16-19-11-10-17-7-4-5-9-20(17)25-19/h4-5,7,9-11,14,18H,6,8,12-13,15-16,24H2,1H3/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



First Affiliated Hospital of Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP-9 (unknown origin)


Eur J Med Chem 68: 312-20 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.010
BindingDB Entry DOI: 10.7270/Q23J3FDZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50440468
PNG
(CHEMBL2425885)
Show SMILES CC#CCn1c(cc(=O)n(Cc2nc3ccccc3[nH]2)c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H24N6O2/c1-2-3-11-26-19(25-10-6-7-15(22)13-25)12-20(28)27(21(26)29)14-18-23-16-8-4-5-9-17(16)24-18/h4-5,8-9,12,15H,6-7,10-11,13-14,22H2,1H3,(H,23,24)/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



First Affiliated Hospital of Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP-9 (unknown origin)


Eur J Med Chem 68: 312-20 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.010
BindingDB Entry DOI: 10.7270/Q23J3FDZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50440469
PNG
(CHEMBL2425884)
Show SMILES CC#CCn1c(cc(=O)n(Cc2ncccn2)c1=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C18H22N6O2/c1-2-3-10-23-16(22-9-4-6-14(19)12-22)11-17(25)24(18(23)26)13-15-20-7-5-8-21-15/h5,7-8,11,14H,4,6,9-10,12-13,19H2,1H3/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



First Affiliated Hospital of Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP-9 (unknown origin)


Eur J Med Chem 68: 312-20 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.010
BindingDB Entry DOI: 10.7270/Q23J3FDZ
More data for this
Ligand-Target Pair
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