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

InChI Key: InChIKey=APSPHODGMQVFBN-UHFFFAOYSA-P

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 190243   
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))		BDBM190243
PNG
(US9174999, 12)
Show SMILES OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)C2NC(=[NH2+])NC12
Show InChI InChI=1S/C27H33N7O6/c28-20-7-4-12-27(38,39)23-21(33-25(29)34-23)19(32-20)15-40-26(37)31-14-13-30-24(36)18-10-8-17(9-11-18)22(35)16-5-2-1-3-6-16/h1-3,5-6,8-11,19,21,23,38-39H,4,7,12-15H2,(H2,28,32)(H,30,36)(H,31,37)(H3,29,33,34)/p+2
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US Patent
n/an/a 87n/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