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PubMed code 27690432

Compile data set for download or QSAR
Found 75 hits of Enzyme Inhibition Constant Data   
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
Show InChI InChI=1S/C24H26N4O3/c1-28-21-13-18(6-7-19(21)14-22(28)29)17-4-2-16(3-5-17)12-20(15-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,14,26H2,1H3,(H,27,30)/t20-/m0/s1
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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
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
Show InChI InChI=1S/C24H26N4O3/c1-28-21-13-18(6-7-19(21)14-22(28)29)17-4-2-16(3-5-17)12-20(15-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,14,26H2,1H3,(H,27,30)/t20-/m0/s1
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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)
Show SMILES Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O3S/c1-27-19-12-17(7-8-21(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)20-14-25-9-2-10-30-20/h3-8,12,18,20,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,20-/m0/s1
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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))
BDBM50195239
PNG
(CHEMBL3972563)
Show SMILES Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O3S/c1-27-19-12-17(7-8-21(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)20-14-25-9-2-10-30-20/h3-8,12,18,20,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,20-/m0/s1
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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)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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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)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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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))
BDBM50195246
PNG
(CHEMBL3980602)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-2-28-20-13-18(8-9-21(20)32-24(28)30)17-6-4-16(5-7-17)12-19(14-25)27-23(29)22-15-26-10-3-11-31-22/h4-9,13,19,22,26H,2-3,10-12,15H2,1H3,(H,27,29)/t19-,22-/m0/s1
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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)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-2-28-20-13-18(8-9-21(20)32-24(28)30)17-6-4-16(5-7-17)12-19(14-25)27-23(29)22-15-26-10-3-11-31-22/h4-9,13,19,22,26H,2-3,10-12,15H2,1H3,(H,27,29)/t19-,22-/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195248
PNG
(CHEMBL3891374)
Show SMILES FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H24F2N4O4/c25-22(26)14-30-19-11-17(6-7-20(19)34-24(30)32)16-4-2-15(3-5-16)10-18(12-27)29-23(31)21-13-28-8-1-9-33-21/h2-7,11,18,21-22,28H,1,8-10,13-14H2,(H,29,31)/t18-,21-/m0/s1
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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))
BDBM50195248
PNG
(CHEMBL3891374)
Show SMILES FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H24F2N4O4/c25-22(26)14-30-19-11-17(6-7-20(19)34-24(30)32)16-4-2-15(3-5-16)10-18(12-27)29-23(31)21-13-28-8-1-9-33-21/h2-7,11,18,21-22,28H,1,8-10,13-14H2,(H,29,31)/t18-,21-/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
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
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))
BDBM50195240
PNG
(CHEMBL3960432)
Show SMILES Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-15-10-18(12-20-22(15)32-24(30)28(20)2)17-6-4-16(5-7-17)11-19(13-25)27-23(29)21-14-26-8-3-9-31-21/h4-7,10,12,19,21,26H,3,8-9,11,14H2,1-2H3,(H,27,29)/t19-,21-/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))
BDBM50195240
PNG
(CHEMBL3960432)
Show SMILES Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-15-10-18(12-20-22(15)32-24(30)28(20)2)17-6-4-16(5-7-17)11-19(13-25)27-23(29)21-14-26-8-3-9-31-21/h4-7,10,12,19,21,26H,3,8-9,11,14H2,1-2H3,(H,27,29)/t19-,21-/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195244
PNG
(CHEMBL3926554)
Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/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))
BDBM50195244
PNG
(CHEMBL3926554)
Show SMILES Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195238
PNG
(CHEMBL3962926)
Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195238
PNG
(CHEMBL3962926)
Show SMILES CN1C(=O)COc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-28-20-12-18(7-8-21(20)32-15-23(28)29)17-5-3-16(4-6-17)11-19(13-25)27-24(30)22-14-26-9-2-10-31-22/h3-8,12,19,22,26H,2,9-11,14-15H2,1H3,(H,27,30)/t19-,22-/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))
BDBM50195242
PNG
(CHEMBL3917575)
Show SMILES CN1C(=O)C(F)(F)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H24F2N4O3/c1-30-20-12-17(7-8-19(20)24(25,26)23(30)32)16-5-3-15(4-6-16)11-18(13-27)29-22(31)21-14-28-9-2-10-33-21/h3-8,12,18,21,28H,2,9-11,14H2,1H3,(H,29,31)/t18-,21-/m0/s1
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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)
Show SMILES Cc1noc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O3/c1-15-20-12-18(7-8-21(20)30-27-15)17-5-3-16(4-6-17)11-19(13-24)26-23(28)22-14-25-9-2-10-29-22/h3-8,12,19,22,25H,2,9-11,14H2,1H3,(H,26,28)/t19-,22-/m0/s1
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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))
BDBM50195242
PNG
(CHEMBL3917575)
Show SMILES CN1C(=O)C(F)(F)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H24F2N4O3/c1-30-20-12-17(7-8-19(20)24(25,26)23(30)32)16-5-3-15(4-6-16)11-18(13-27)29-22(31)21-14-28-9-2-10-33-21/h3-8,12,18,21,28H,2,9-11,14H2,1H3,(H,29,31)/t18-,21-/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 1


(Canis lupus familiaris)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195245
PNG
(CHEMBL3972158)
Show SMILES Cc1noc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O3/c1-15-20-12-18(7-8-21(20)30-27-15)17-5-3-16(4-6-17)11-19(13-24)26-23(28)22-14-25-9-2-10-29-22/h3-8,12,19,22,25H,2,9-11,14H2,1H3,(H,26,28)/t19-,22-/m0/s1
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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 1


(Rattus norvegicus)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of rat 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))
BDBM50195256
PNG
(CHEMBL3954197)
Show SMILES Cn1c2cc(ccc2ncc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H25N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,15,19,22,26H,2,9-11,14H2,1H3,(H,28,31)/t19-,22-/m0/s1
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n/an/a 25n/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


(Mus musculus)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of mouse 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))
BDBM50195249
PNG
(CHEMBL3970692)
Show SMILES N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1
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n/an/a 32n/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))
BDBM50195236
PNG
(CHEMBL3927609)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1
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n/an/a 32n/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))
BDBM50195251
PNG
(CHEMBL3927522)
Show SMILES N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21+,22-/m0/s1
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n/an/a 40n/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))
BDBM50195236
PNG
(CHEMBL3927609)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1
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n/an/a 40n/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))
BDBM50195249
PNG
(CHEMBL3970692)
Show SMILES N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1
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n/an/a 40n/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))
BDBM50195255
PNG
(CHEMBL3945475)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-19(13-26)28-21(29)20-14-27-10-1-11-30-20/h2-9,19-20,27H,1,10-12,14H2,(H,28,29)/t19-,20-/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195251
PNG
(CHEMBL3927522)
Show SMILES N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21+,22-/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))
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells assessed as inactivation of neutrophil elastase using metho...


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))
BDBM50195263
PNG
(CHEMBL3942969)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc2scnc2c1)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C22H22N4O2S/c23-12-18(26-22(27)20-13-24-8-1-9-28-20)10-15-2-4-16(5-3-15)17-6-7-21-19(11-17)25-14-29-21/h2-7,11,14,18,20,24H,1,8-10,13H2,(H,26,27)/t18-,20-/m0/s1
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n/an/a 63n/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))
BDBM50195262
PNG
(CHEMBL3966946)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)C1CNCCCO1
Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21?/m0/s1
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n/an/a 63n/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)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a 115n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells assessed as inactivation of cathepsin G using N-succinyl-Al...


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)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells


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))
BDBM50195253
PNG
(CHEMBL3929272)
Show SMILES N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21+,22+/m0/s1
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n/an/a 158n/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))
BDBM50195243
PNG
(CHEMBL3908639)
Show SMILES FC(F)(F)c1cnc(nc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)15-10-26-18(27-11-15)14-4-2-13(3-5-14)8-16(9-24)28-19(29)17-12-25-6-1-7-30-17/h2-5,10-11,16-17,25H,1,6-8,12H2,(H,28,29)/t16-,17-/m0/s1
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n/an/a 200n/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))
BDBM50195243
PNG
(CHEMBL3908639)
Show SMILES FC(F)(F)c1cnc(nc1)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)15-10-26-18(27-11-15)14-4-2-13(3-5-14)8-16(9-24)28-19(29)17-12-25-6-1-7-30-17/h2-5,10-11,16-17,25H,1,6-8,12H2,(H,28,29)/t16-,17-/m0/s1
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n/an/a 200n/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)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells assessed as inactivation of proteinase 3 using aminobenzoyl...


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))
BDBM50195253
PNG
(CHEMBL3929272)
Show SMILES N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21+,22+/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
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195258
PNG
(CHEMBL3899487)
Show SMILES N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21-,22-/m0/s1
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n/an/a 398n/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))
BDBM50195257
PNG
(CHEMBL3919313)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCO1
Show InChI InChI=1S/C21H20N4O2/c22-12-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(13-23)25-21(26)20-14-24-9-10-27-20/h1-8,19-20,24H,9-11,14H2,(H,25,26)/t19-,20-/m0/s1
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n/an/a 398n/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))
BDBM50195252
PNG
(CHEMBL3937199)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)C1CCCCNC1
Show InChI InChI=1S/C23H24N4O/c24-14-18-6-10-20(11-7-18)19-8-4-17(5-9-19)13-22(15-25)27-23(28)21-3-1-2-12-26-16-21/h4-11,21-22,26H,1-3,12-13,16H2,(H,27,28)/t21?,22-/m0/s1
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n/an/a 501n/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))
BDBM50195258
PNG
(CHEMBL3899487)
Show SMILES N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21-,22-/m0/s1
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n/an/a 501n/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))
BDBM50195257
PNG
(CHEMBL3919313)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCO1
Show InChI InChI=1S/C21H20N4O2/c22-12-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(13-23)25-21(26)20-14-24-9-10-27-20/h1-8,19-20,24H,9-11,14H2,(H,25,26)/t19-,20-/m0/s1
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n/an/a 501n/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))
BDBM50195250
PNG
(CHEMBL3906771)
Show SMILES N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C22H22N4O/c23-13-16-6-10-18(11-7-16)17-8-4-15(5-9-17)12-19(14-24)26-22(27)20-2-1-3-21(20)25/h4-11,19-21H,1-3,12,25H2,(H,26,27)/t19-,20+,21-/m0/s1
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n/an/a 1.00E+3n/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))
BDBM50195259
PNG
(CHEMBL3898680)
Show SMILES NC1CCCCC1C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-4-3-5-19(12-17)18-10-8-16(9-11-18)13-20(15-25)27-23(28)21-6-1-2-7-22(21)26/h3-5,8-12,20-22H,1-2,6-7,13,26H2,(H,27,28)/t20-,21?,22?/m0/s1
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n/an/a 1.00E+3n/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))
BDBM50195252
PNG
(CHEMBL3937199)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)C1CCCCNC1
Show InChI InChI=1S/C23H24N4O/c24-14-18-6-10-20(11-7-18)19-8-4-17(5-9-19)13-22(15-25)27-23(28)21-3-1-2-12-26-16-21/h4-11,21-22,26H,1-3,12-13,16H2,(H,27,28)/t21?,22-/m0/s1
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n/an/a 1.26E+3n/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))
BDBM50195250
PNG
(CHEMBL3906771)
Show SMILES N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C22H22N4O/c23-13-16-6-10-18(11-7-16)17-8-4-15(5-9-17)12-19(14-24)26-22(27)20-2-1-3-21(20)25/h4-11,19-21H,1-3,12,25H2,(H,26,27)/t19-,20+,21-/m0/s1
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n/an/a 1.26E+3n/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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195249
PNG
(CHEMBL3970692)
Show SMILES N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195251
PNG
(CHEMBL3927522)
Show SMILES N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21+,22-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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))
BDBM50195261
PNG
(CHEMBL3899584)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@H]1CNCCCO1
Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21+/m0/s1
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n/an/a 6.31E+3n/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))
BDBM50195254
PNG
(CHEMBL3901320)
Show SMILES N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-14-17-7-11-19(12-8-17)18-9-5-16(6-10-18)13-20(15-25)27-23(28)21-3-1-2-4-22(21)26/h5-12,20-22H,1-4,13,26H2,(H,27,28)/t20-,21-,22+/m0/s1
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n/an/a<1.00E+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))
BDBM50195241
PNG
(CHEMBL3947105)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@H]1CNCCO1
Show InChI InChI=1S/C21H20N4O2/c22-12-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(13-23)25-21(26)20-14-24-9-10-27-20/h1-8,19-20,24H,9-11,14H2,(H,25,26)/t19-,20+/m0/s1
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n/an/a<1.00E+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))
BDBM50195237
PNG
(CHEMBL3938314)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCNC1
Show InChI InChI=1S/C22H22N4O/c23-13-17-5-9-19(10-6-17)18-7-3-16(4-8-18)12-21(14-24)26-22(27)20-2-1-11-25-15-20/h3-10,20-21,25H,1-2,11-12,15H2,(H,26,27)/t20-,21+/m1/s1
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n/an/a<1.00E+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))
BDBM50195260
PNG
(CHEMBL3910381)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@H]1CCCNC1
Show InChI InChI=1S/C22H22N4O/c23-13-17-5-9-19(10-6-17)18-7-3-16(4-8-18)12-21(14-24)26-22(27)20-2-1-11-25-15-20/h3-10,20-21,25H,1-2,11-12,15H2,(H,26,27)/t20-,21-/m0/s1
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n/an/a<1.00E+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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195236
PNG
(CHEMBL3927609)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1
Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Cathepsin Z


(Homo sapiens)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin Z


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
Cathepsin (H and K)


(Homo sapiens)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin H


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
Cathepsin D


(Homo sapiens (human))
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin D


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
Cathepsin (L and K)


(Homo sapiens (human))
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


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
Cathepsin (B and K)


(Homo sapiens)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


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
Cathepsin S


(Homo sapiens (Human))
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


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
Cathepsin E


(Homo sapiens (Human))
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin E


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
Cathepsin G


(Homo sapiens)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin G


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
Cathepsin K


(Homo sapiens (human))
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195239
PNG
(CHEMBL3972563)
Show SMILES Cn1c2cc(ccc2sc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O3S/c1-27-19-12-17(7-8-21(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)20-14-25-9-2-10-30-20/h3-8,12,18,20,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,20-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195246
PNG
(CHEMBL3980602)
Show SMILES CCn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-2-28-20-13-18(8-9-21(20)32-24(28)30)17-6-4-16(5-7-17)12-19(14-25)27-23(29)22-15-26-10-3-11-31-22/h4-9,13,19,22,26H,2-3,10-12,15H2,1H3,(H,27,29)/t19-,22-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195235
PNG
(CHEMBL3900409)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195248
PNG
(CHEMBL3891374)
Show SMILES FC(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H24F2N4O4/c25-22(26)14-30-19-11-17(6-7-20(19)34-24(30)32)16-4-2-15(3-5-16)10-18(12-27)29-23(31)21-13-28-8-1-9-33-21/h2-7,11,18,21-22,28H,1,8-10,13-14H2,(H,29,31)/t18-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50195240
PNG
(CHEMBL3960432)
Show SMILES Cc1cc(cc2n(C)c(=O)oc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H26N4O4/c1-15-10-18(12-20-22(15)32-24(30)28(20)2)17-6-4-16(5-7-17)11-19(13-25)27-23(29)21-14-26-8-3-9-31-21/h4-7,10,12,19,21,26H,3,8-9,11,14H2,1-2H3,(H,27,29)/t19-,21-/m0/s1
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CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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)
Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
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n/an/an/a 2.5n/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant DPP1 by surface plasmon resonance direct binding 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
* indicates data uncertainty>20%