BDBM50492339 CHEMBL2402970

SMILES: [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O

InChI Key: InChIKey=UHNAQIZIYJGUBC-DUUGLLGNSA-N

Data: 1 Kd

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 = 50492339   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Voltage-gated sodium channel (Rattus norvegicus)	BDBM50492339 (CHEMBL2402970) Show SMILES [H][C@]1(N)CSSC[C@]2([H])NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O |r| Show InChI InChI=1S/C67H99N27O22S6/c1-94-18-49(99)80-36(12-29-16-78-33-7-3-2-6-31(29)33)55(106)92-45-25-119-117-22-32(68)52(103)90-44-24-121-122-27-47(64(115)89-43(51(70)102)23-118-120-26-46(93-57(108)38(14-48(69)98)84-62(44)113)63(114)87-41(20-96)60(111)88-42(21-97)65(94)116)91-54(105)35(9-5-11-77-67(73)74)81-59(110)40(19-95)86-56(107)37(13-30-17-75-28-79-30)83-58(109)39(15-50(100)101)85-53(104)34(82-61(45)112)8-4-10-76-66(71)72/h2-3,6-7,16-17,28,32,34-47,78,95-97H,4-5,8-15,18-27,68H2,1H3,(H2,69,98)(H2,70,102)(H,75,79)(H,80,99)(H,81,110)(H,82,112)(H,83,109)(H,84,113)(H,85,104)(H,86,107)(H,87,114)(H,88,111)(H,89,115)(H,90,103)(H,91,105)(H,92,106)(H,93,108)(H,100,101)(H4,71,72,76)(H4,73,74,77)/t32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
University of Gdansk Curated by ChEMBL					Assay Description Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes				Eur J Med Chem 65: 144-50 (2013) Article DOI: 10.1016/j.ejmech.2013.04.041 BindingDB Entry DOI: 10.7270/Q23B632D
					More data for this Ligand-Target Pair