BDBM50113806 4-(3,3-Diphenyl-propyl)-5-piperidin-4-yl-isoxazol-3-ol; hydrobromide::CHEMBL377925::CHEMBL544544

SMILES: O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FJADGXRCKLHLAK-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50113806   

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
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50113806 (4-(3,3-Diphenyl-propyl)-5-piperidin-4-yl-isoxazol-...) Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50113806 (4-(3,3-Diphenyl-propyl)-5-piperidin-4-yl-isoxazol-...) Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes				J Med Chem 45: 2454-68 (2002) BindingDB Entry DOI: 10.7270/Q2D21Z91
					More data for this Ligand-Target Pair