BindingDB logo
myBDB logout

null

SMILES: CCCCCC[N+](C)(C)CCCCCC(=O)NCCCCCCNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12

InChI Key: InChIKey=MHFQMZGWWBEMNU-VQGKEWTASA-O

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 1 hit for monomerid = 190239   
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
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190239
PNG
(US9174999, Table 1, Compound 7)
Show SMILES CCCCCC[N+](C)(C)CCCCCC(=O)NCCCCCCNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r|
Show InChI InChI=1S/C30H57N9O5/c1-4-5-6-13-20-39(2,3)21-14-9-10-15-24(40)33-17-11-7-8-12-18-34-28(41)44-22-23-25-30(37-26(31)36-25)29(42,43)16-19-38(30)27(32)35-23/h23,25,42-43H,4-22H2,1-3H3,(H6-,31,32,33,34,35,36,37,40,41)/p+1/t23-,25-,30-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 15n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...

US Patent US9174999 (2015)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair