BDBM50264883 3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole::CHEMBL526090

SMILES: Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1

InChI Key: InChIKey=ZYSDUCLOQUOUSW-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50264883   

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
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50264883 (3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current				Bioorg Med Chem Lett 18: 5209-12 (2008) Article DOI: 10.1016/j.bmcl.2008.08.080 BindingDB Entry DOI: 10.7270/Q2SX6D26
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50264883 (3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human alpha3beta4 nAChR assessed as potentiation of submaximal response to nicotine induced current				Bioorg Med Chem Lett 18: 5209-12 (2008) Article DOI: 10.1016/j.bmcl.2008.08.080 BindingDB Entry DOI: 10.7270/Q2SX6D26
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50264883 (3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C17H17ClN4O/c18-15-4-2-1-3-14(15)16-9-17(23-21-16)12-10-20-22(11-12)13-5-7-19-8-6-13/h1-4,9-11,13,19H,5-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human alpha3beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current				Bioorg Med Chem Lett 18: 5209-12 (2008) Article DOI: 10.1016/j.bmcl.2008.08.080 BindingDB Entry DOI: 10.7270/Q2SX6D26
					More data for this Ligand-Target Pair