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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Ki
IC50
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null
SMILES:
N#CN1CCCC1
InChI Key:
InChIKey=QJRYYOWARFCJQZ-UHFFFAOYSA-N
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
14
hits for monomerid = 50095495
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Dipeptidyl peptidase 1
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
>2.51E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant cathepsin C after 1 hr
ACS Med Chem Lett
2:
142
-
147
(2011)
Article DOI:
10.1021/ml100212k
BindingDB Entry DOI:
10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
3.98E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant cathepsin K after 1 hr
ACS Med Chem Lett
2:
142
-
147
(2011)
Article DOI:
10.1021/ml100212k
BindingDB Entry DOI:
10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Procathepsin L
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
1.58E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant cathepsin L after 1 hr
ACS Med Chem Lett
2:
142
-
147
(2011)
Article DOI:
10.1021/ml100212k
BindingDB Entry DOI:
10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin S
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
2.51E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant cathepsin S after 1 hr
ACS Med Chem Lett
2:
142
-
147
(2011)
Article DOI:
10.1021/ml100212k
BindingDB Entry DOI:
10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin B
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
>2.51E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant cathepsin B after 1 hr
ACS Med Chem Lett
2:
142
-
147
(2011)
Article DOI:
10.1021/ml100212k
BindingDB Entry DOI:
10.7270/Q2RX9DBM
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
3.40E+3
n/a
n/a
n/a
n/a
7.0
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
2.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Inhibition constant against human cathepsin K
Bioorg Med Chem Lett
15:
3039
-
43
(2005)
Article DOI:
10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI:
10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin B
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
1.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
1.63E+3
n/a
n/a
n/a
n/a
5.5
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Inhibition of Cathepsin K at pH 5.5
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
2.30E+3
n/a
n/a
n/a
n/a
7.0
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Inhibition of Cathepsin K at pH 7
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Procathepsin L
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
4.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Article
PubMed
n/a
n/a
2.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC
Bioorg Med Chem Lett
15:
1815
-
9
(2005)
Article DOI:
10.1016/j.bmcl.2005.02.033
BindingDB Entry DOI:
10.7270/Q2DR2V1G
More data for this
Ligand-Target Pair
Cathepsin K
(Homo sapiens (Human))
BDBM50095495
(CHEMBL262697 | Pyrrolidine-1-carbonitrile)
Show SMILES
N#CN1CCCC1
Show InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
PubMed
n/a
n/a
1.50E+3
n/a
n/a
n/a
n/a
5.5
n/a
Merck Frosst Centre for Therapeutic Research
Curated by
ChEMBL
Assay Description
Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5
J Med Chem
44:
94
-
104
(2001)
BindingDB Entry DOI:
10.7270/Q2DV1J4R
More data for this
Ligand-Target Pair
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