BindingDB logo
myBDB logout

BDBM50273177 2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phenethylpyrimidine-5-carboxamide::CHEMBL457001

SMILES: CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N

InChI Key: InChIKey=UXDKVFLANDNUJE-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 = 50273177   
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 S


(Homo sapiens (Human))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50273177
PNG
(2-cyano-4-((cyclohexylmethyl)(methyl)amino)-N-phen...)
Show SMILES CN(CC1CCCCC1)c1nc(ncc1C(=O)NCCc1ccccc1)C#N
Show InChI InChI=1S/C22H27N5O/c1-27(16-18-10-6-3-7-11-18)21-19(15-25-20(14-23)26-21)22(28)24-13-12-17-8-4-2-5-9-17/h2,4-5,8-9,15,18H,3,6-7,10-13,16H2,1H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair