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Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'doyle' and Initial = 'k'   
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
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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45n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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49n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82493
PNG
(CAS_128658 | NSC_128658 | TMQ, (+/-)-8-Fluoro)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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58n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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76n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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87n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82493
PNG
(CAS_128658 | NSC_128658 | TMQ, (+/-)-8-Fluoro)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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98n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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372n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 35: 466-79 (1992)


BindingDB Entry DOI: 10.7270/Q27D2WF8
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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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
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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n/an/a 0.794n/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
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 1.60n/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
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|
PDB

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n/an/a 2.40n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 2.5n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385058
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2-methoxyethyl)-2-ox...)
PDB

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n/an/a 3.16n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 3.20n/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
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|
PDB

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n/an/a 4n/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
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|
PDB

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n/an/a 4n/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
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|
PDB

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n/an/a 4.47n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 5n/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
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|
PDB

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n/an/a 5n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385076
PNG
(US10287258, Example 36)
PDB

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n/an/a 5.01n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385055
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(7-fluoro-3-methyl-2-oxo...)
PDB

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n/an/a 5.13n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385077
PNG
(US10287258, Example 37)
PDB

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n/an/a 5.25n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 5.75n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 6.30n/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
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|
PDB

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n/an/a 6.30n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385057
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(cyclopropylmethyl)-2...)
PDB

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n/an/a 6.31n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 6.61n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385053
PNG
((2S)-N-[(1S)-1-Cyano-2-(4-{3-[2-(dimethylamino)eth...)
PDB

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n/an/a 7.24n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 7.90n/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
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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n/an/a 7.90n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
PDB

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n/an/a 8.13n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385061
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2-methoxyethyl)-2-ox...)
PDB

KEGG

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n/an/a 8.13n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385052
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[3-(2,2-difluoroethyl)-7...)
PDB

KEGG

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n/an/a 10n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 10.2n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385065
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(tetrahydro-2H-...)
PDB

KEGG

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n/an/a 10.7n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
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|
PDB

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n/an/a 12.6n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385049
PNG
((2S)-N-{(1S)-1-Cyano-2-[4-(4-methyl-3-oxo-3,4-dihy...)
PDB

KEGG

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n/an/a 12.9n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195244
PNG
(CHEMBL3926554 | US10287258, Example 24)
Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

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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 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|
PDB

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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 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))
BDBM50195244
PNG
(CHEMBL3926554 | US10287258, Example 24)
Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

KEGG

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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
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|
PDB

KEGG

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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385066
PNG
((2S)-N-{(1S)-2-[4-(7-Chloro-3-methyl-2-oxo-2,3-dih...)
PDB

KEGG

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n/an/a 13.5n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195244
PNG
(CHEMBL3926554 | US10287258, Example 24)
Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

KEGG

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n/an/a 13.8n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
PDB

KEGG

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n/an/a 14.5n/an/an/an/an/an/a



Novartis





J Med Chem 51: 7049-52 (2008)


Article DOI: 10.1021/jm801050k
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195245
PNG
(CHEMBL3972158 | US10287258, Example 5)
Show SMILES Cc1noc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

KEGG

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n/an/a 16n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195242
PNG
(CHEMBL3917575 | US10287258, Example 14)
Show SMILES CN1C(=O)C(F)(F)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

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n/an/a 16n/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195245
PNG
(CHEMBL3972158 | US10287258, Example 5)
Show SMILES Cc1noc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 16n/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
Dipeptidyl peptidase 1


(Canis lupus familiaris)
BDBM50195235
PNG
(CHEMBL3900409 | US10287258, Example 2)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
PDB

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n/an/a 16n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of dog 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
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