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BDBM50095499 Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-yl)-amide::CHEMBL8816

SMILES: O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=CCMLFCPHJPWXFB-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50095499   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Procathepsin L


(Homo sapiens (Human))
BDBM50095499
PNG
(Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-y...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-13-21-11-10-17(12-21)20-18(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,20,22)
PDB
MMDB

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PubMed
n/an/a 850n/an/an/an/an/an/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))
BDBM50095499
PNG
(Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-y...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-13-21-11-10-17(12-21)20-18(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 290n/an/an/an/an/an/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 B


(Homo sapiens (Human))
BDBM50095499
PNG
(Biphenyl-4-carboxylic acid (1-cyano-pyrrolidin-3-y...)
Show SMILES O=C(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-13-21-11-10-17(12-21)20-18(22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 300n/an/an/an/an/an/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