BDBM50317436 CHEMBL1096407::calopocarpin

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8]

InChI Key: InChIKey=CYXCYFYWIZXENQ-JXFKEZNVSA-N

Data: 1 KI  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 3 hits for monomerid = 50317436   

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
Sialidase (Clostridium perfringens)	BDBM50317436 (CHEMBL1096407 | calopocarpin) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r| Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Noncompetitive inhibition of Clostridium perfringens neuraminidase				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Vibrio cholerae)	BDBM50317436 (CHEMBL1096407 | calopocarpin) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r| Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50317436 (CHEMBL1096407 | calopocarpin) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r| Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorometry				Bioorg Med Chem 18: 3335-44 (2010) Article DOI: 10.1016/j.bmc.2010.03.005 BindingDB Entry DOI: 10.7270/Q2MW2HBM
					More data for this Ligand-Target Pair