BDBM50060476 5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin-9-amine::8,20-diazatetracyclo[10.8.0.0^{2,7}.0^{14,19}]icosa-1(12),2(7),3,5,13,15,17,19-octaen-13-amine::CHEMBL325203

SMILES: Nc1c2CCCNc3ccccc3-c2nc2ccccc12

InChI Key: InChIKey=MUNJEFGPDSDLMV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50060476   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50060476 (5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...) Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12 Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate				J Med Chem 40: 3516-23 (1997) Article DOI: 10.1021/jm970150t BindingDB Entry DOI: 10.7270/Q25H7FC9
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50060476 (5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...) Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12 Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description In vitro inhibition of Butyrylcholinesterase from human plasma.				J Med Chem 40: 3516-23 (1997) Article DOI: 10.1021/jm970150t BindingDB Entry DOI: 10.7270/Q25H7FC9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50060476 (5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...) Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12 Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50060476 (5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...) Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12 Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description In vitro inhibition of acetylcholinesterase, isolated from rat brain.				J Med Chem 40: 3516-23 (1997) Article DOI: 10.1021/jm970150t BindingDB Entry DOI: 10.7270/Q25H7FC9
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50060476 (5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...) Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12 Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate				J Med Chem 40: 3516-23 (1997) Article DOI: 10.1021/jm970150t BindingDB Entry DOI: 10.7270/Q25H7FC9
					More data for this Ligand-Target Pair