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BDBM50313462 4-phenyl-6-propylpyrimidine-2-carbonitrile::CHEMBL1077366

SMILES: CCCc1cc(nc(n1)C#N)-c1ccccc1

InChI Key: InChIKey=IUPDRSKJKKTVKP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50313462   
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
Cathepsin K


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a 985n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Bioorg Med Chem Lett 20: 1524-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.100
BindingDB Entry DOI: 10.7270/Q24X57ZH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
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PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50313462
PNG
(4-phenyl-6-propylpyrimidine-2-carbonitrile | CHEMB...)
Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1
Show InChI InChI=1S/C14H13N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3
PDB
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Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L


Bioorg Med Chem Lett 20: 4447-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4JP2
More data for this
Ligand-Target Pair