BDBM50021487 CHEMBL3290195

SMILES: O=C1\C(CCc2ccccc12)=C\c1ccc(cc1)N1CCCC1

InChI Key: InChIKey=GGSXQHJWBQDVDD-OBGWFSINSA-N

Data: 4 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 4 hits for monomerid = 50021487   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50021487 (CHEMBL3290195) Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C21H21NO/c23-21-18(10-9-17-5-1-2-6-20(17)21)15-16-7-11-19(12-8-16)22-13-3-4-14-22/h1-2,5-8,11-12,15H,3-4,9-10,13-14H2/b18-15+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50021487 (CHEMBL3290195) Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C21H21NO/c23-21-18(10-9-17-5-1-2-6-20(17)21)15-16-7-11-19(12-8-16)22-13-3-4-14-22/h1-2,5-8,11-12,15H,3-4,9-10,13-14H2/b18-15+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50021487 (CHEMBL3290195) Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C21H21NO/c23-21-18(10-9-17-5-1-2-6-20(17)21)15-16-7-11-19(12-8-16)22-13-3-4-14-22/h1-2,5-8,11-12,15H,3-4,9-10,13-14H2/b18-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins				Bioorg Med Chem 22: 4151-61 (2014) Article DOI: 10.1016/j.bmc.2014.05.052 BindingDB Entry DOI: 10.7270/Q2GX4D6F
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50021487 (CHEMBL3290195) Show SMILES O=C1\C(CCc2ccccc12)=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C21H21NO/c23-21-18(10-9-17-5-1-2-6-20(17)21)15-16-7-11-19(12-8-16)22-13-3-4-14-22/h1-2,5-8,11-12,15H,3-4,9-10,13-14H2/b18-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
					More data for this Ligand-Target Pair