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BDBM50313480 4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triazine-2-carbonitrile::4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile::CHEMBL1084679

SMILES: N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1

InChI Key: InChIKey=ZBLLHXCRPWKVCY-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50313480   
Target
(Institution)
LigandTarget
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))
BDBM50313480
PNG
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)
Show SMILES N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
PDB
MMDB

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PC cid
PC sid
PDB
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AffyNet 
PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin K by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin (B and K)


(Homo sapiens)
BDBM50313480
PNG
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)
Show SMILES N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
PDB
MMDB

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n/an/a 520n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin B by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50313480
PNG
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)
Show SMILES N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
PDB
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n/an/a 1.71E+3n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin (S and K)


(Homo sapiens (Human))
BDBM50313480
PNG
(4-(cyclohexylamino)-6-(piperazin-1-yl)-1,3,5-triaz...)
Show SMILES N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair