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SMILES: O=C(N1CC2CCC(C1)O2)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1

InChI Key: InChIKey=RNPBXAXAFOFOJK-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 = 307629   
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))
BDBM307629
PNG
(5-((1R,5S)-8-oxa-3- azabicyclo[3.2.1] octane-3-car...)
Show SMILES O=C(N1CC2CCC(C1)O2)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1 |TLB:1:2:5.6:9|
Show InChI InChI=1S/C25H24N6O3/c32-24(29-12-18-7-8-19(13-29)34-18)15-4-9-20-16(10-15)11-30(25(20)33)22-3-1-2-21(27-22)23-28-26-14-31(23)17-5-6-17/h1-4,9-10,14,17-19H,5-8,11-13H2
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))
BDBM307629
PNG
(5-((1R,5S)-8-oxa-3- azabicyclo[3.2.1] octane-3-car...)
Show SMILES O=C(N1CC2CCC(C1)O2)c1ccc2C(=O)N(Cc2c1)c1cccc(n1)-c1nncn1C1CC1 |TLB:1:2:5.6:9|
Show InChI InChI=1S/C25H24N6O3/c32-24(29-12-18-7-8-19(13-29)34-18)15-4-9-20-16(10-15)11-30(25(20)33)22-3-1-2-21(27-22)23-28-26-14-31(23)17-5-6-17/h1-4,9-10,14,17-19H,5-8,11-13H2
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