BindingDB logo
myBDB logout

BDBM209558 US9271969, 46

SMILES: CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1

InChI Key: InChIKey=UJIFYDZPGHKMSU-AQYVVDRMSA-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 = 209558   
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))
BDBM209558
PNG
(US9271969, 46)
Show SMILES CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1
Show InChI InChI=1S/C31H35N3O3S/c1-31(2,3)25-14-6-21(7-15-25)17-32-29(37)26-18-34-19-27(38-30(34)33-26)24-12-10-23(11-13-24)22-8-4-20(5-9-22)16-28(35)36/h6-7,10-15,18-20,22H,4-5,8-9,16-17H2,1-3H3,(H,32,37)(H,35,36)/t20-,22-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<50n/an/an/an/an/an/a



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))
BDBM209558
PNG
(US9271969, 46)
Show SMILES CC(C)(C)c1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1
Show InChI InChI=1S/C31H35N3O3S/c1-31(2,3)25-14-6-21(7-15-25)17-32-29(37)26-18-34-19-27(38-30(34)33-26)24-12-10-23(11-13-24)22-8-4-20(5-9-22)16-28(35)36/h6-7,10-15,18-20,22H,4-5,8-9,16-17H2,1-3H3,(H,32,37)(H,35,36)/t20-,22-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a



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