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3 similar compounds to monomer 50352641

Compile data set for download or QSAR
Wt: 359.4
BDBM50352636
Wt: 345.4
BDBM50352639
Wt: 435.5
BDBM50352642

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50352636,50352639,50352642   
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)
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
Luciferase


(Luciola lateralis)
BDBM50352642
PNG
(CHEMBL1709231)
Show SMILES O=C(Nc1ccccc1)C1CCN(CC1)c1ncc(s1)-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C24H25N3O3S/c28-23(26-19-5-2-1-3-6-19)17-9-11-27(12-10-17)24-25-16-22(31-24)18-7-8-20-21(15-18)30-14-4-13-29-20/h1-3,5-8,15-17H,4,9-14H2,(H,26,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+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
Luciferase


(Luciola lateralis)
BDBM50352639
PNG
(CHEMBL1719232)
Show SMILES CC(C)Oc1cccc(c1)-c1cnc(s1)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C18H23N3O2S/c1-12(2)23-15-5-3-4-14(10-15)16-11-20-18(24-16)21-8-6-13(7-9-21)17(19)22/h3-5,10-13H,6-9H2,1-2H3,(H2,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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