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2 similar compounds to monomer 50090666

Wt: 322.3
BDBM50139802
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Wt: 485.5
BDBM50090656

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50139802,50090656   
Target
(Institution)
LigandTarget
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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50139802
PNG
((2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tet...)
Show SMILES CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O
Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15-,20+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity was measured on Cytochrome P450 2C9


J Med Chem 43: 2789-96 (2000)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50139802
PNG
((2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tet...)
Show SMILES CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O
Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity towards cytochrome P450 2C9


Citation and Details
More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090656
PNG
(CHEMBL3581724)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3/t15?,20-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


Citation and Details
More data for this
Ligand-Target Pair