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BDBM128404 US8802695, 20

SMILES: CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12

InChI Key: InChIKey=GNDQKBUOIUXIMO-IBGZPJMESA-N

Data: 2 IC50

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 = 128404   
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 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128404
PNG
(US8802695, 20)
Show SMILES CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20BrN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM A...


US Patent US8802695 (2014)


BindingDB Entry DOI: 10.7270/Q27W69WD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)


(Homo sapiens (Human))
BDBM128404
PNG
(US8802695, 20)
Show SMILES CCn1cc(Br)c2cnc(NC(=O)c3ccc(cc3)[C@@](C)(O)CO)cc12
Show InChI InChI=1S/C19H20BrN3O3/c1-3-23-10-15(20)14-9-21-17(8-16(14)23)22-18(25)12-4-6-13(7-5-12)19(2,26)11-24/h4-10,24,26H,3,11H2,1-2H3,(H,21,22,25)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The test compounds (2.5 μL) dissolved in DMSO were added to wells containing 37.5 μL of the reaction solution (25 mM HEPES (pH 7.5), 10 mM ...


US Patent US8802695 (2014)


BindingDB Entry DOI: 10.7270/Q27W69WD
More data for this
Ligand-Target Pair