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SMILES: COC(=O)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1

InChI Key: InChIKey=BSDOWRWXDWARDL-UHFFFAOYSA-N

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 = 307680   
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


(Homo sapiens (Human))
BDBM307680
PNG
(US10150755, Compound 72 | methyl 2-(6-(4-cycloprop...)
Show SMILES COC(=O)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C20H17N5O3/c1-28-20(27)12-5-6-13-10-24(19(26)15(13)9-12)17-4-2-3-16(22-17)18-23-21-11-25(18)14-7-8-14/h2-6,9,11,14H,7-8,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<200n/an/an/an/an/an/an/an/a



SEAL ROCK THERAPEUTICS, INC.

US Patent


Assay Description
The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents ne...


US Patent US10150755 (2018)


BindingDB Entry DOI: 10.7270/Q2125VQ8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM307680
PNG
(US10150755, Compound 72 | methyl 2-(6-(4-cycloprop...)
Show SMILES COC(=O)c1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C1CC1
Show InChI InChI=1S/C20H17N5O3/c1-28-20(27)12-5-6-13-10-24(19(26)15(13)9-12)17-4-2-3-16(22-17)18-23-21-11-25(18)14-7-8-14/h2-6,9,11,14H,7-8,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<200n/an/an/an/an/an/a



SEAL ROCK THERAPEUTICS, INC.

US Patent


Assay Description
The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents ne...


US Patent US10150755 (2018)


BindingDB Entry DOI: 10.7270/Q27P91GS
More data for this
Ligand-Target Pair