BDBM86424 CAS_39764::NSC_39764::Vecuronium

SMILES: CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1

InChI Key: InChIKey=BGSZAXLLHYERSY-UHFFFAOYSA-N

Data: 1 KI

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 = 86424   

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
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM86424 (CAS_39764 | NSC_39764 | Vecuronium) Show SMILES CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1 Show InChI InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by PDSP Ki Database									Mol Pharmacol 64: 1283-94 (2003) Article DOI: 10.1124/mol.64.6.1283 BindingDB Entry DOI: 10.7270/Q2GF0S2V
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