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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.2
BDBM351667

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM351667
PNG
(N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)...)
Show SMILES Brc1csc(NC(=O)Cc2cccc3cccnc23)c1-c1ncn[nH]1
Show InChI InChI=1S/C17H12BrN5OS/c18-12-8-25-17(14(12)16-20-9-21-23-16)22-13(24)7-11-4-1-3-10-5-2-6-19-15(10)11/h1-6,8-9H,7H2,(H,22,24)(H,20,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.05E+3n/an/an/an/an/an/a



IMAGO PHARMACEUTICALS, INC.

US Patent


Assay Description
(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...


US Patent US9796706 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MHK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM351667
PNG
(N-(4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)...)
Show SMILES Brc1csc(NC(=O)Cc2cccc3cccnc23)c1-c1ncn[nH]1
Show InChI InChI=1S/C17H12BrN5OS/c18-12-8-25-17(14(12)16-20-9-21-23-16)22-13(24)7-11-4-1-3-10-5-2-6-19-15(10)11/h1-6,8-9H,7H2,(H,22,24)(H,20,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.05E+3n/an/an/an/an/an/a



IMAGO PHARMACEUTICALS, INC.

US Patent


Assay Description
(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared usi...


US Patent US9796706 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MHK
More data for this
Ligand-Target Pair