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2 similar compounds to monomer 50352642

Compile data set for download or QSAR
Wt: 359.4
BDBM50352636
Wt: 360.4
BDBM50352641

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50352636,50352641   
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
Luciferase


(Luciola lateralis)
BDBM50352641
PNG
(CHEMBL1733803)
Show SMILES OC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C18H20N2O4S/c21-17(22)12-4-6-20(7-5-12)18-19-11-16(25-18)13-2-3-14-15(10-13)24-9-1-8-23-14/h2-3,10-12H,1,4-9H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of fire fly luciferase


J Med Chem 54: 6215-33 (2011)


Article DOI: 10.1021/jm200497t
BindingDB Entry DOI: 10.7270/Q22F7NVF
More data for this
Ligand-Target Pair
Luciferase


(Luciola lateralis)
BDBM50352636
PNG
(CHEMBL1721157)
Show SMILES NC(=O)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C18H21N3O3S/c19-17(22)12-4-6-21(7-5-12)18-20-11-16(25-18)13-2-3-14-15(10-13)24-9-1-8-23-14/h2-3,10-12H,1,4-9H2,(H2,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of fire fly luciferase


J Med Chem 54: 6215-33 (2011)


Article DOI: 10.1021/jm200497t
BindingDB Entry DOI: 10.7270/Q22F7NVF
More data for this
Ligand-Target Pair