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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50013658   
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 1


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568317
PNG
(CHEMBL4865824)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568319
PNG
(CHEMBL4869673)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(c(c1)C#N)S(C)(=O)=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568314
PNG
(CHEMBL4856217)
Show SMILES [H][C@@]12CCC[C@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568310
PNG
(CHEMBL4875554)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCCC2)CN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568318
PNG
(CHEMBL4850769)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C#N)c(c1)S(C)(=O)=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568309
PNG
(CHEMBL4864151)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCC2)CN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568316
PNG
(CHEMBL4869840)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568310
PNG
(CHEMBL4875554)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCCC2)CN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568308
PNG
(CHEMBL4851884)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CC2)CN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568313
PNG
(CHEMBL4854705)
Show SMILES [H][C@]12CCC[C@@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568313
PNG
(CHEMBL4854705)
Show SMILES [H][C@]12CCC[C@@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50502617
PNG
(CHEMBL4570759)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H20N4O/c22-13-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19(14-23)25-21(26)20-2-1-11-24-20/h3-10,19-20,24H,1-2,11-12H2,(H,25,26)/t19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568309
PNG
(CHEMBL4864151)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CCC2)CN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568315
PNG
(CHEMBL4876996)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 154n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568312
PNG
(CHEMBL4848266)
Show SMILES [H][C@@]12C[C@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 223n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568311
PNG
(CHEMBL4849657)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CC2(CN1)CCCCC2 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 228n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568306
PNG
(CHEMBL4846681)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1COCCN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 308n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568307
PNG
(CHEMBL4847757)
Show SMILES [H][C@@]12CCCN1C[C@@H](NC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 394n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568314
PNG
(CHEMBL4856217)
Show SMILES [H][C@@]12CCC[C@]1([H])N[C@@H](C2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 699n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568320
PNG
(CHEMBL4860749)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc2oc(=O)n(C)c2c1)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cathepsin C


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568315
PNG
(CHEMBL4876996)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM50568306
PNG
(CHEMBL4846681)
Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1COCCN1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of cellular cathepsin C (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128202
BindingDB Entry DOI: 10.7270/Q2PR80R9
More data for this
Ligand-Target Pair