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BDBM220399 US9296708, 5, ARM-P6

SMILES: OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O

InChI Key: InChIKey=CYVVMVGUOBEGRT-NSOVKSMOSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 220399   
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))
BDBM220399
PNG
(US9296708, 5, ARM-P6)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H50N8O17/c42-30(43)7-6-28(32(46)47)36-33(48)35-27(31(44)45)3-1-2-9-39-22-24(37-38-39)23-58-20-19-57-18-17-56-16-15-55-14-13-54-12-11-53-10-8-34-26-5-4-25(40(49)50)21-29(26)41(51)52/h4-5,21-22,27-28,34H,1-3,6-20,23H2,(H,42,43)(H,44,45)(H,46,47)(H2,35,36,48)/t27-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.101n/a 2.29n/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