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BDBM54951 (6Z)-3-(2-furanyl)-6-(2-pyrrolylidene)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::(6Z)-3-(2-furyl)-6-pyrrol-2-ylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::(6Z)-3-(furan-2-yl)-6-pyrrol-2-ylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::VU0364701-1::cid_44236874

SMILES: c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1

InChI Key: InChIKey=LTMAUFULSATPJT-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 = 54951   
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))
BDBM54951
PNG
((6Z)-3-(2-furanyl)-6-(2-pyrrolylidene)-5H-[1,2,4]t...)
Show SMILES c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C11H7N5OS/c1-3-7(12-5-1)10-15-16-9(8-4-2-6-17-8)13-14-11(16)18-10/h1-6,12H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


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


(Homo sapiens (Human))
BDBM54951
PNG
((6Z)-3-(2-furanyl)-6-(2-pyrrolylidene)-5H-[1,2,4]t...)
Show SMILES c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C11H7N5OS/c1-3-7(12-5-1)10-15-16-9(8-4-2-6-17-8)13-14-11(16)18-10/h1-6,12H
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


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


(Homo sapiens (Human))
BDBM54951
PNG
((6Z)-3-(2-furanyl)-6-(2-pyrrolylidene)-5H-[1,2,4]t...)
Show SMILES c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C11H7N5OS/c1-3-7(12-5-1)10-15-16-9(8-4-2-6-17-8)13-14-11(16)18-10/h1-6,12H
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2KH0KRZ
More data for this
Ligand-Target Pair