BindingDB logo
myBDB logout

BDBM209527 US9271969, 15

SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HLBMXGGFJBULIE-FNGKDXACSA-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 = 209527   
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))
BDBM209527
PNG
(US9271969, 15)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,wD:4.3,(9.67,-6.41,;8.34,-5.64,;8.34,-4.1,;7.01,-6.41,;5.67,-5.64,;5.67,-4.1,;4.34,-3.33,;3.01,-4.1,;3.01,-5.64,;4.34,-6.41,;1.67,-3.33,;.34,-4.1,;-.99,-3.33,;-.99,-1.79,;.34,-1.02,;1.67,-1.79,;-2.33,-1.02,;-2.33,.52,;-3.66,1.29,;-5,.52,;-6.46,.99,;-7.36,-.25,;-6.46,-1.5,;-5,-1.02,;-3.66,-1.79,;-8.9,-.25,;-9.67,-1.59,;-9.67,1.08,;-8.9,2.41,;-9.67,3.75,;-8.9,5.08,;-7.36,5.08,;-6.59,6.41,;-6.59,3.75,;-5.05,3.75,;-7.36,2.41,)|
Show InChI InChI=1S/C28H25Cl2N3O3/c29-23-11-10-22(14-24(23)30)31-28(36)25-16-33-15-21(9-12-26(33)32-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,31,36)(H,34,35)/t17-,18?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.90n/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))
BDBM209527
PNG
(US9271969, 15)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,wD:4.3,(9.67,-6.41,;8.34,-5.64,;8.34,-4.1,;7.01,-6.41,;5.67,-5.64,;5.67,-4.1,;4.34,-3.33,;3.01,-4.1,;3.01,-5.64,;4.34,-6.41,;1.67,-3.33,;.34,-4.1,;-.99,-3.33,;-.99,-1.79,;.34,-1.02,;1.67,-1.79,;-2.33,-1.02,;-2.33,.52,;-3.66,1.29,;-5,.52,;-6.46,.99,;-7.36,-.25,;-6.46,-1.5,;-5,-1.02,;-3.66,-1.79,;-8.9,-.25,;-9.67,-1.59,;-9.67,1.08,;-8.9,2.41,;-9.67,3.75,;-8.9,5.08,;-7.36,5.08,;-6.59,6.41,;-6.59,3.75,;-5.05,3.75,;-7.36,2.41,)|
Show InChI InChI=1S/C28H25Cl2N3O3/c29-23-11-10-22(14-24(23)30)31-28(36)25-16-33-15-21(9-12-26(33)32-25)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-27(34)35/h5-12,14-18H,1-4,13H2,(H,31,36)(H,34,35)/t17-,18?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.8n/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