BDBM50353946 CHEMBL1831032

SMILES: C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1

InChI Key: InChIKey=PXWYOBGHDFLUNG-UHFFFAOYSA-N

Data: 1 KI  1 EC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50353946   

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
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50353946 (CHEMBL1831032) Show SMILES C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 19: 6107-19 (2011) Article DOI: 10.1016/j.bmc.2011.08.028 BindingDB Entry DOI: 10.7270/Q2SN09BH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50353946 (CHEMBL1831032) Show SMILES C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assa...				Bioorg Med Chem 19: 6107-19 (2011) Article DOI: 10.1016/j.bmc.2011.08.028 BindingDB Entry DOI: 10.7270/Q2SN09BH
					More data for this Ligand-Target Pair