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BDBM209544 US9271969, 32

SMILES: Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=NLUCDPHKIRNBFD-ABOQPKSFSA-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 = 209544   
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))
BDBM209544
PNG
(US9271969, 32)
Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:28.32,(-8.9,5.08,;-9.67,3.75,;-11.21,3.75,;-11.98,2.41,;-11.21,1.08,;-9.67,1.08,;-8.9,2.41,;-7.36,2.41,;-6.59,1.08,;-7.36,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.98,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)|
Show InChI InChI=1S/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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))
BDBM209544
PNG
(US9271969, 32)
Show SMILES Cc1ccccc1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:28.32,(-8.9,5.08,;-9.67,3.75,;-11.21,3.75,;-11.98,2.41,;-11.21,1.08,;-9.67,1.08,;-8.9,2.41,;-7.36,2.41,;-6.59,1.08,;-7.36,-.25,;-5.06,1.08,;-4.15,-.17,;-2.69,.31,;-1.35,-.46,;-.02,.31,;-.02,1.85,;-1.35,2.62,;-2.69,1.85,;-4.15,2.33,;1.32,-.46,;1.32,-2,;2.65,-2.77,;3.98,-2,;3.98,-.46,;2.65,.31,;5.32,-2.77,;6.65,-2,;7.98,-2.77,;7.98,-4.31,;9.32,-5.08,;10.65,-4.31,;11.98,-5.08,;10.65,-2.77,;6.65,-5.08,;5.32,-4.31,)|
Show InChI InChI=1S/C29H29N3O3/c1-19-4-2-3-5-25(19)31-29(35)26-18-32-17-24(14-15-27(32)30-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-28(33)34/h2-5,10-15,17-18,20-21H,6-9,16H2,1H3,(H,31,35)(H,33,34)/t20-,21?
PDB

UniProtKB/SwissProt

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