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SMILES: OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCCCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)C2NC(=[NH2+])NC12

InChI Key: InChIKey=RWFUASJUGQFDML-UHFFFAOYSA-P

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 60830   
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))		BDBM60830
PNG
(US9174999, 13)
Show SMILES OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCCCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)C2NC(=[NH2+])NC12
Show InChI InChI=1S/C30H39N7O6/c31-23-10-7-15-30(41,42)26-24(36-28(32)37-26)22(35-23)18-43-29(40)34-17-6-2-5-16-33-27(39)21-13-11-20(12-14-21)25(38)19-8-3-1-4-9-19/h1,3-4,8-9,11-14,22,24,26,41-42H,2,5-7,10,15-18H2,(H2,31,35)(H,33,39)(H,34,40)(H3,32,36,37)/p+2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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