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BDBM307695 2-(6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1,2-dihydro-3H-indazol-3-one ::US10150755, Compound 87

SMILES: O=c1n(-c2cccc(n2)-c2nncn2C2CC2)n(C2CCCCO2)c2ccccc12

InChI Key: InChIKey=VBBSQULOQVNLIH-UHFFFAOYSA-N

Data: 1 KI  1 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 = 307695   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM307695
PNG
(2-(6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-...)
Show SMILES O=c1n(-c2cccc(n2)-c2nncn2C2CC2)n(C2CCCCO2)c2ccccc12
Show InChI InChI=1S/C22H22N6O2/c29-22-16-6-1-2-8-18(16)27(20-10-3-4-13-30-20)28(22)19-9-5-7-17(24-19)21-25-23-14-26(21)15-11-12-15/h1-2,5-9,14-15,20H,3-4,10-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.50E+3n/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))
BDBM307695
PNG
(2-(6-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)pyridin-...)
Show SMILES O=c1n(-c2cccc(n2)-c2nncn2C2CC2)n(C2CCCCO2)c2ccccc12
Show InChI InChI=1S/C22H22N6O2/c29-22-16-6-1-2-8-18(16)27(20-10-3-4-13-30-20)28(22)19-9-5-7-17(24-19)21-25-23-14-26(21)15-11-12-15/h1-2,5-9,14-15,20H,3-4,10-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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