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BDBM51832 MLS000589651::SMR000219434::cid_3757714

SMILES: N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=OTRFRNNIWWWYJW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 51832   
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 2


(Homo sapiens)
BDBM51832
PNG
(MLS000589651 | SMR000219434 | cid_3757714)
Show SMILES N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24N4/c31-19-24(20-32)23-14-15-27-29(17-23)34-28(22-11-5-2-6-12-22)18-25(21-9-3-1-4-10-21)26-13-7-8-16-30(26,34)33-27/h1-6,9-12,14-15,17-18,25-26H,7-8,13,16H2
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.95E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51832
PNG
(MLS000589651 | SMR000219434 | cid_3757714)
Show SMILES N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24N4/c31-19-24(20-32)23-14-15-27-29(17-23)34-28(22-11-5-2-6-12-22)18-25(21-9-3-1-4-10-21)26-13-7-8-16-30(26,34)33-27/h1-6,9-12,14-15,17-18,25-26H,7-8,13,16H2
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

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...


Citation and Details
More data for this
Ligand-Target Pair