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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'gardiner' and Initial = 'p'   
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 I


(Homo sapiens (Human))
BDBM50195247
PNG
(CHEMBL3936580)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
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n/an/a 0.251n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339747
PNG
((S)-2-(2-((4-(2-(4-fluorophenyl)acetyl)-3-methylpi...)
Show SMILES C[C@H]1CN(Cc2cc(ccc2OCC(O)=O)C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24F4N2O4/c1-15-12-28(8-9-29(15)21(30)10-16-2-5-19(24)6-3-16)13-17-11-18(23(25,26)27)4-7-20(17)33-14-22(31)32/h2-7,11,15H,8-10,12-14H2,1H3,(H,31,32)/t15-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339748
PNG
(CHEMBL1689128 | [4-Chloro-2-[[(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-4-18(23)5-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339749
PNG
((S)-2-(2-((4-(benzylsulfonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1S(=O)(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H25ClN2O4S/c1-16-13-23(14-19-11-20(22)8-7-18(19)12-21(25)26)9-10-24(16)29(27,28)15-17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26)/t16-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011503
PNG
(CHEMBL3261927)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
Show InChI InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339750
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339751
PNG
((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H24ClFN2O4/c1-15-12-25(13-17-11-18(23)4-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-5-19(24)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011506
PNG
(CHEMBL3261920)
Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339753
PNG
((S)-2-(4-chloro-2-(((S)-4-(2-(4-chlorophenyl)acety...)
Show SMILES C[C@H](Oc1ccc(Cl)cc1CN1CCN([C@@H](C)C1)C(=O)Cc1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H26Cl2N2O4/c1-15-13-26(9-10-27(15)22(28)11-17-3-5-19(24)6-4-17)14-18-12-20(25)7-8-21(18)31-16(2)23(29)30/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,29,30)/t15-,16-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339752
PNG
((S)-2-(4-chloro-2-((4-(phenylsulfonyl)-3-propylpip...)
Show SMILES CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H27ClN2O5S/c1-2-6-19-15-24(11-12-25(19)31(28,29)20-7-4-3-5-8-20)14-17-13-18(23)9-10-21(17)30-16-22(26)27/h3-5,7-10,13,19H,2,6,11-12,14-16H2,1H3,(H,26,27)/t19-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195247
PNG
(CHEMBL3936580)
Show SMILES CN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011501
PNG
(CHEMBL3261925)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C21H23N3O2/c22-15-19(24-20(25)21(23)10-12-26-13-11-21)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-14,23H2,(H,24,25)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339754
PNG
(CHEMBL1689135 | [4-Chloro-2-({(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24Cl2N2O3/c1-15-13-25(14-18-11-20(24)7-4-17(18)12-22(28)29)8-9-26(15)21(27)10-16-2-5-19(23)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011500
PNG
(CHEMBL3261924)
Show SMILES NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195239
PNG
(CHEMBL3972563 | US10287258, Example 29)
Show SMILES Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195239
PNG
(CHEMBL3972563 | US10287258, Example 29)
Show SMILES Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011500
PNG
(CHEMBL3261924)
Show SMILES NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339755
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H25ClN2O4/c1-16-13-24(9-10-25(16)21(26)11-17-5-3-2-4-6-17)14-18-12-19(23)7-8-20(18)29-15-22(27)28/h2-8,12,16H,9-11,13-15H2,1H3,(H,27,28)/t16-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011509
PNG
(CHEMBL3261923)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1 |r|
Show InChI InChI=1S/C24H26N4O3/c1-28-14-18-11-17(6-7-21(18)24(28)31)16-4-2-15(3-5-16)10-19(13-25)27-23(30)22-12-20(29)8-9-26-22/h2-7,11,19-20,22,26,29H,8-10,12,14H2,1H3,(H,27,30)/t19-,20-,22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195235
PNG
(CHEMBL3900409 | US10287258, Example 2)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195235
PNG
(CHEMBL3900409 | US10287258, Example 2)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011506
PNG
(CHEMBL3261920)
Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339750
PNG
((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339756
PNG
((S)-2-(4-chloro-2-((3-ethyl-4-(phenylsulfonyl)pipe...)
Show SMILES CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H25ClN2O5S/c1-2-18-14-23(10-11-24(18)30(27,28)19-6-4-3-5-7-19)13-16-12-17(22)8-9-20(16)29-15-21(25)26/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,25,26)/t18-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011504
PNG
(CHEMBL3261928)
Show SMILES CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
Show InChI InChI=1S/C24H26N4O3/c1-28-15-19-7-6-18(13-21(19)22(28)29)17-4-2-16(3-5-17)12-20(14-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,15,26H2,1H3,(H,27,30)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011508
PNG
(CHEMBL3261922)
Show SMILES O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,19-21,25,27H,9-12H2,(H,26,28)/t19-,20-,21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195246
PNG
(CHEMBL3980602 | US10287258, Example 16)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195246
PNG
(CHEMBL3980602 | US10287258, Example 16)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339757
PNG
((S)-2-(4-chloro-2-((4-(2-(2-chlorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccccc1Cl |r|
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-10-18(23)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)11-16-4-2-3-5-19(16)24/h2-7,10,15H,8-9,11-14H2,1H3,(H,28,29)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339758
PNG
(2-(2-((4-(benzylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C20H23ClN2O5S/c21-18-6-7-19(28-14-20(24)25)17(12-18)13-22-8-10-23(11-9-22)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,24,25)
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195248
PNG
(CHEMBL3891374 | US10287258, Example 27)
Show SMILES FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195248
PNG
(CHEMBL3891374 | US10287258, Example 27)
Show SMILES FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339759
PNG
((S)-2-(4-chloro-2-((4-(2-(3-chlorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)5-6-20(17)30-14-22(28)29)7-8-26(15)21(27)10-16-3-2-4-18(23)9-16/h2-6,9,11,15H,7-8,10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011507
PNG
(CHEMBL3261921)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-28-15-19-13-18(9-10-21(19)24(28)30)17-7-5-16(6-8-17)12-20(14-25)27-23(29)22-4-2-3-11-26-22/h5-10,13,20,22,26H,2-4,11-12,15H2,1H3,(H,27,29)/t20-,22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195240
PNG
(CHEMBL3960432 | US10287258, Example 3)
Show SMILES Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011503
PNG
(CHEMBL3261927)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1 |r|
Show InChI InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339748
PNG
(CHEMBL1689128 | [4-Chloro-2-[[(3S)-4-[(4-chlorophe...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-4-18(23)5-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339751
PNG
((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H24ClFN2O4/c1-15-12-25(13-17-11-18(23)4-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-5-19(24)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339760
PNG
(2-(4-chloro-2-((4-(4-fluorophenylsulfonyl)piperazi...)
Show SMILES OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20ClFN2O5S/c20-15-1-6-18(28-13-19(24)25)14(11-15)12-22-7-9-23(10-8-22)29(26,27)17-4-2-16(21)3-5-17/h1-6,11H,7-10,12-13H2,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011505
PNG
(CHEMBL3261919)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C22H22N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,20-21,25H,1-3,12-13H2,(H,26,27)/t20-,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195240
PNG
(CHEMBL3960432 | US10287258, Example 3)
Show SMILES Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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n/an/a 10n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50339749
PNG
((S)-2-(2-((4-(benzylsulfonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1S(=O)(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C21H25ClN2O4S/c1-16-13-23(14-19-11-20(22)8-7-18(19)12-21(25)26)9-10-24(16)29(27,28)15-17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux


J Med Chem 54: 1779-88 (2011)


Article DOI: 10.1021/jm1014549
BindingDB Entry DOI: 10.7270/Q2H41RQJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011508
PNG
(CHEMBL3261922)
Show SMILES O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
Show InChI InChI=1S/C22H22N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,19-21,25,27H,9-12H2,(H,26,28)/t19-,20-,21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195238
PNG
(CHEMBL3962926 | US10287258, Example 20)
Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195238
PNG
(CHEMBL3962926 | US10287258, Example 20)
Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
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n/an/a 13n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
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