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BDBM20726 (1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid::Urea-based Analogue, 4j

SMILES: OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1

InChI Key: InChIKey=HCWAEJBFWIPTDG-VVWGFWRPNA-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 = 20726   
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))
BDBM20726
PNG
((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM20726
PNG
((1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carb...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1/C27H23F3N2O4/c28-27(29,30)19-10-14-21(15-11-19)32-26(36)31-20-12-8-17(9-13-20)16-4-6-18(7-5-16)24(33)22-2-1-3-23(22)25(34)35/h4-15,22-23H,1-3H2,(H,34,35)(H2,31,32,36)/t22-,23-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/a7.522



Abbott Laboratories



Assay Description
DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The r...


J Med Chem 51: 380-3 (2008)


Article DOI: 10.1021/jm7013887
BindingDB Entry DOI: 10.7270/Q2KW5DB6
More data for this
Ligand-Target Pair