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BDBM54956 6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-cycloheptyl-3-(2-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-cycloheptyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::VU0364706-1::cid_44236878

SMILES: C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1

InChI Key: InChIKey=XFODYCJPUWOREI-UHFFFAOYSA-N

Data: 3 EC50

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 = 54956   
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
mitogen-activated protein kinase kinase kinase 3 isoform 1


(Homo sapiens (Human))
BDBM54956
PNG
(6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...)
Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


Article DOI: 10.1111/cbdd.12174
BindingDB Entry DOI: 10.7270/Q2Q81BH4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM54956
PNG
(6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...)
Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2
MMDB

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B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


Article DOI: 10.1111/cbdd.12207
BindingDB Entry DOI: 10.7270/Q2FQ9V13
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM54956
PNG
(6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...)
Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


Article DOI: 10.1111/cbdd.12198
BindingDB Entry DOI: 10.7270/Q2KH0KRZ
More data for this
Ligand-Target Pair