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BDBM220401 US9296708, 7, ARM-P12

SMILES: OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O

InChI Key: InChIKey=PIOBRDLEUUPQOY-ZAQUEYBZSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 220401   
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 (DGAT1)


(Homo sapiens (Human))
BDBM220401
PNG
(US9296708, 7, ARM-P12)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C45H74N8O23/c54-42(55)7-6-40(44(58)59)48-45(60)47-39(43(56)57)3-1-2-9-51-34-36(49-50-51)35-76-32-31-75-30-29-74-28-27-73-26-25-72-24-23-71-22-21-70-20-19-69-18-17-68-16-15-67-14-13-66-12-11-65-10-8-46-38-5-4-37(52(61)62)33-41(38)53(63)64/h4-5,33-34,39-40,46H,1-3,6-32,35H2,(H,54,55)(H,56,57)(H,58,59)(H2,47,48,60)/t39-,40-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.65n/a 37.3n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair