Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 4 subunit alpha' and Ligand = 'BDBM50118518'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium channel protein type 4 subunit alpha (Mus musculus)	BDBM50118518 (CHEMBL3617066) Show SMILES [H][C@@]12CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(O)=O)NC(=O)[C@H](CC(N)=O)NC2=O |r| Show InChI InChI=1S/C70H105N27O23S6/c71-12-4-3-9-36-54(105)86-39(15-31-19-81-35-8-2-1-7-33(31)35)57(108)95-47-26-122-121-24-34(72)53(104)93-46-25-123-124-28-49(67(118)97-50(68(119)120)29-126-125-27-48(96-59(110)41(17-51(73)101)88-65(46)116)66(117)92-45(23-100)63(114)91-44(22-99)62(113)83-36)94-56(107)38(11-6-14-80-70(76)77)84-61(112)43(21-98)90-58(109)40(16-32-20-78-30-82-32)87-60(111)42(18-52(102)103)89-55(106)37(85-64(47)115)10-5-13-79-69(74)75/h1-2,7-8,19-20,30,34,36-50,81,98-100H,3-6,9-18,21-29,71-72H2,(H2,73,101)(H,78,82)(H,83,113)(H,84,112)(H,85,115)(H,86,105)(H,87,111)(H,88,116)(H,89,106)(H,90,109)(H,91,114)(H,92,117)(H,93,104)(H,94,107)(H,95,108)(H,96,110)(H,97,118)(H,102,103)(H,119,120)(H4,74,75,79)(H4,76,77,80)/t34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse NaV1.4 channel by two-electrode voltage-clamp method				J Med Chem 58: 7093-118 (2015) Article DOI: 10.1021/jm501981g BindingDB Entry DOI: 10.7270/Q2XS5X6P
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