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BDBM50128053 Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine::CHEMBL305157

SMILES: CN(CCCCCCOc1ccc2c(C)nn(C)c2c1)CC=C

InChI Key: InChIKey=PRCHKVZWEFWXHR-UHFFFAOYSA-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 = 50128053   
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
Squalene-hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50128053
PNG
(Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-...)
Show SMILES CN(CCCCCCOc1ccc2c(C)nn(C)c2c1)CC=C
Show InChI InChI=1S/C19H29N3O/c1-5-12-21(3)13-8-6-7-9-14-23-17-10-11-18-16(2)20-22(4)19(18)15-17/h5,10-11,15H,1,6-9,12-14H2,2-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 332n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50128053
PNG
(Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-...)
Show SMILES CN(CCCCCCOc1ccc2c(C)nn(C)c2c1)CC=C
Show InChI InChI=1S/C19H29N3O/c1-5-12-21(3)13-8-6-7-9-14-23-17-10-11-18-16(2)20-22(4)19(18)15-17/h5,10-11,15H,1,6-9,12-14H2,2-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Albert-Ludwigs-Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes


J Med Chem 46: 2083-92 (2003)


Article DOI: 10.1021/jm0211218
BindingDB Entry DOI: 10.7270/Q2VM4BM9
More data for this
Ligand-Target Pair