BDBM50090184 CHEMBL3581573

SMILES: [H][C@@]1([#6]-[#6@H](-[#6]-[#6][C@@]1([#6])[#8])-[#6](-[#6])=[#6])[#6]-1=[#6](-[#8])C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6])=[#6]-1-[#8]

InChI Key: InChIKey=NCFPHBHTPSXYFH-DKGMKSHISA-N

Data: 2 IC50

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 2 hits for monomerid = 50090184   

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
T-type calcium channel alpha 1G subunit (Mus musculus)	BDBM50090184 (CHEMBL3581573) Show SMILES [H][C@@]1([#6]-[#6@H](-[#6]-[#6][C@@]1([#6])[#8])-[#6](-[#6])=[#6])[#6]-1=[#6](-[#8])C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6])=[#6]-1-[#8] |r,c:13,34| Show InChI InChI=1S/C30H44O5/c1-17(2)10-14-30(15-11-18(3)4)27(33)23(26(32)24(28(30)34)25(31)20(7)8)22-16-21(19(5)6)12-13-29(22,9)35/h10-11,20-22,32-33,35H,5,12-16H2,1-4,6-9H3/t21-,22+,29+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as inhibition of current amplitude at holding potential of -100 mV by whole c...				J Med Chem 63: 1709-1716 (2020) Article DOI: 10.1021/acs.jmedchem.9b02056
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50090184 (CHEMBL3581573) Show SMILES [H][C@@]1([#6]-[#6@H](-[#6]-[#6][C@@]1([#6])[#8])-[#6](-[#6])=[#6])[#6]-1=[#6](-[#8])C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6])=[#6]-1-[#8] |r,c:13,34| Show InChI InChI=1S/C30H44O5/c1-17(2)10-14-30(15-11-18(3)4)27(33)23(26(32)24(28(30)34)25(31)20(7)8)22-16-21(19(5)6)12-13-29(22,9)35/h10-11,20-22,32-33,35H,5,12-16H2,1-4,6-9H3/t21-,22+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocytes acetylcholinesterase after 30 mins using S-acetylthiocholine iodide substrate by spectrophotometry based Ellman meth...				J Nat Prod 78: 885-95 (2015) Article DOI: 10.1021/acs.jnatprod.5b00057 BindingDB Entry DOI: 10.7270/Q2FJ2JH8
					More data for this Ligand-Target Pair