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	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
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				Bioorg Med Chem Lett 9: 2335-8 (1999) Article DOI: 10.1016/s0960-894x(99)00396-0 BindingDB Entry DOI: 10.7270/Q2PK0GPF
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (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 UniProtKB/TrEMBL GoogleScholar	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) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					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	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) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (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 UniProtKB/TrEMBL GoogleScholar	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
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor				Bioorg Med Chem Lett 9: 2335-8 (1999) Article DOI: 10.1016/s0960-894x(99)00396-0 BindingDB Entry DOI: 10.7270/Q2PK0GPF
					More data for this Ligand-Target Pair