BDBM50080157 (RS)-tacrine(10)-hupyridone::5-[10-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one::CHEMBL76658

SMILES: O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=ROTFGKJJMRTWBD-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50080157   

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 (Rattus norvegicus (rat))	BDBM50080157 ((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...) Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor				Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat))	BDBM50080157 ((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...) Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of rat BuChE				J Med Chem 51: 3154-70 (2008)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50080157 ((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...) Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of rat AChE				J Med Chem 51: 3154-70 (2008)
					More data for this Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat))	BDBM50080157 ((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...) Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor				Citation and Details
					More data for this Ligand-Target Pair