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BDBM209573 US9271969, 61

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(Cl)cccc1Cl

InChI Key: InChIKey=HDEHBHNSQMSUHG-QAQDUYKDSA-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 = 209573   
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))
BDBM209573
PNG
(US9271969, 61)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(Cl)cccc1Cl |r,wU:7.10,wD:4.3,(12.38,2.67,;10.84,2.67,;10.07,4,;10.07,1.33,;8.53,1.33,;7.76,2.67,;6.22,2.67,;5.45,1.33,;6.22,,;7.76,,;3.91,1.33,;3.14,2.67,;1.6,2.67,;.83,1.33,;1.6,,;3.14,,;-.71,1.33,;-1.62,.09,;-3.08,.56,;-4.54,.09,;-5.45,1.33,;-4.54,2.58,;-3.08,2.1,;-1.62,2.58,;-6.99,1.33,;-7.76,2.67,;-7.76,,;-9.3,,;-10.07,-1.33,;-11.61,-1.33,;-12.38,,;-12.38,-2.67,;-11.61,-4,;-10.07,-4,;-9.3,-2.67,;-7.76,-2.67,)|
Show InChI InChI=1S/C27H25Cl2N3O3S/c28-21-2-1-3-22(29)20(21)13-30-26(35)23-14-32-15-24(36-27(32)31-23)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-25(33)34/h1-3,8-11,14-17H,4-7,12-13H2,(H,30,35)(H,33,34)/t16-,17-
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))
BDBM209573
PNG
(US9271969, 61)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1c(Cl)cccc1Cl |r,wU:7.10,wD:4.3,(12.38,2.67,;10.84,2.67,;10.07,4,;10.07,1.33,;8.53,1.33,;7.76,2.67,;6.22,2.67,;5.45,1.33,;6.22,,;7.76,,;3.91,1.33,;3.14,2.67,;1.6,2.67,;.83,1.33,;1.6,,;3.14,,;-.71,1.33,;-1.62,.09,;-3.08,.56,;-4.54,.09,;-5.45,1.33,;-4.54,2.58,;-3.08,2.1,;-1.62,2.58,;-6.99,1.33,;-7.76,2.67,;-7.76,,;-9.3,,;-10.07,-1.33,;-11.61,-1.33,;-12.38,,;-12.38,-2.67,;-11.61,-4,;-10.07,-4,;-9.3,-2.67,;-7.76,-2.67,)|
Show InChI InChI=1S/C27H25Cl2N3O3S/c28-21-2-1-3-22(29)20(21)13-30-26(35)23-14-32-15-24(36-27(32)31-23)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-25(33)34/h1-3,8-11,14-17H,4-7,12-13H2,(H,30,35)(H,33,34)/t16-,17-
PDB

UniProtKB/SwissProt

antibodypedia
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