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BDBM209550 US9271969, 38

InChI string: InChI=1/C30H31N3O3/c1-19-4-3-5-20(2)29(19)32-30(36)26-18-33-17-25(14-15-27(33)31-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-28(34)35/h3-5,10-15,17-18,21-22H,6-9,16H2,1-2H3,(H,32,36)(H,34,35)/t21-,22?

SMILES: Cc1cccc(C)c1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=HSXUOTMVAPMQKN-YIRBZYSLNA-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 = 209550   
Target
(Institution)
LigandTarget
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))
BDBM209550
PNG
(US9271969, 38)
Show SMILES Cc1cccc(C)c1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C30H31N3O3/c1-19-4-3-5-20(2)29(19)32-30(36)26-18-33-17-25(14-15-27(33)31-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-28(34)35/h3-5,10-15,17-18,21-22H,6-9,16H2,1-2H3,(H,32,36)(H,34,35)/t21-,22?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
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)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (human))
BDBM209550
PNG
(US9271969, 38)
Show SMILES Cc1cccc(C)c1NC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1/C30H31N3O3/c1-19-4-3-5-20(2)29(19)32-30(36)26-18-33-17-25(14-15-27(33)31-26)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-28(34)35/h3-5,10-15,17-18,21-22H,6-9,16H2,1-2H3,(H,32,36)(H,34,35)/t21-,22?
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a<200n/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)

More data for this
Ligand-Target Pair