BindingDB logo
myBDB logout

BDBM38199 US10093650, Example 7::US10329273, Example 22

SMILES: Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F

InChI Key: InChIKey=IVLUAGYBDRGAPC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 38199   
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM38199
PNG
(US10093650, Example 7 | US10329273, Example 22)
Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F |r,c:28|
Show InChI InChI=1S/C12H17O3P/c1-11(2)9-12(3,13)16(14,15-11)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 173n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US10093650 (2018)


BindingDB Entry DOI: 10.7270/Q22809MS
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM38199
PNG
(US10093650, Example 7 | US10329273, Example 22)
Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F |r,c:28|
Show InChI InChI=1S/C12H17O3P/c1-11(2)9-12(3,13)16(14,15-11)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Rutgers University



Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


ACS Chem Biol 1: 702-12 (2006)


BindingDB Entry DOI: 10.7270/Q2MP55KP
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM38199
PNG
(US10093650, Example 7 | US10329273, Example 22)
Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F |r,c:28|
Show InChI InChI=1S/C12H17O3P/c1-11(2)9-12(3,13)16(14,15-11)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 173n/an/an/an/an/an/a



Rutgers University



Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


ACS Chem Biol 1: 702-12 (2006)


BindingDB Entry DOI: 10.7270/Q2MP55KP
More data for this
Ligand-Target Pair