BDBM50419182 CHEMBL1831044

SMILES: NCC(OCc1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=KFVPLCBTGAXYHI-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50419182   

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)	BDBM50419182 (CHEMBL1831044) Show SMILES NCC(OCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6.31E+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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50419182 (CHEMBL1831044) Show SMILES NCC(OCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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 alpha4beta2 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology...				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