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BDBM50273288 2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid (4-benzyl-1-methyl-piperidin-4-yl)-amide::CHEMBL456135

SMILES: CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N

InChI Key: InChIKey=NBEARLDWGIZSTM-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 = 50273288   
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 L1


(Homo sapiens (Human))
BDBM50273288
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)
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PC cid
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Article
PubMed
n/an/a 180n/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
Cathepsin S


(Homo sapiens (Human))
BDBM50273288
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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))
BDBM50273288
PNG
(2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...)
Show SMILES CN1CCC(Cc2ccccc2)(CC1)NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N
Show InChI InChI=1S/C28H36N6O/c1-34-15-13-28(14-16-34,17-21-5-3-2-4-6-21)33-26(35)23-20-30-24(18-29)32-25(23)31-19-22-7-9-27(10-8-22)11-12-27/h2-6,20,22H,7-17,19H2,1H3,(H,33,35)(H,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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