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BDBM209556 US9271969, 44

SMILES: Cc1cc(C)c(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(C)c1

InChI Key: InChIKey=LGKBOFSSGQLALH-CAPNVHDISA-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 = 209556   
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209556
PNG
(US9271969, 44)
Show SMILES Cc1cc(C)c(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(C)c1 |r,wD:28.31,(-11.99,6.41,;-11.22,5.08,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,;-8.91,3.75,;-7.37,3.75,;-9.68,5.08,)|
Show InChI InChI=1S/C32H35N3O3/c1-20-14-21(2)28(22(3)15-20)17-33-32(38)29-19-35-18-27(12-13-30(35)34-29)26-10-8-25(9-11-26)24-6-4-23(5-7-24)16-31(36)37/h8-15,18-19,23-24H,4-7,16-17H2,1-3H3,(H,33,38)(H,36,37)/t23-,24?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM209556
PNG
(US9271969, 44)
Show SMILES Cc1cc(C)c(CNC(=O)c2cn3cc(ccc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)c(C)c1 |r,wD:28.31,(-11.99,6.41,;-11.22,5.08,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,;-8.91,3.75,;-7.37,3.75,;-9.68,5.08,)|
Show InChI InChI=1S/C32H35N3O3/c1-20-14-21(2)28(22(3)15-20)17-33-32(38)29-19-35-18-27(12-13-30(35)34-29)26-10-8-25(9-11-26)24-6-4-23(5-7-24)16-31(36)37/h8-15,18-19,23-24H,4-7,16-17H2,1-3H3,(H,33,38)(H,36,37)/t23-,24?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<25n/an/an/an/a7.425



KAINOS MEDICINE, INC.

US Patent


Assay Description
 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ...


US Patent US9271969 (2016)


BindingDB Entry DOI: 10.7270/Q2057DS8
More data for this
Ligand-Target Pair