BDBM50112793 1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-butyl}-4-phenyl-piperazine; hydrochloride::CHEMBL557409

SMILES: COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1

InChI Key: InChIKey=VTBKJNQAKCEEEL-UHFFFAOYSA-N

Data: 3 KI

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 = 50112793   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50112793 (1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...) Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1 Show InChI InChI=1S/C25H31N3O3/c1-29-24-12-11-20(18-25(24)30-2)23-19-22(31-26-23)10-6-7-13-27-14-16-28(17-15-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells				Bioorg Med Chem Lett 12: 1327-30 (2002) BindingDB Entry DOI: 10.7270/Q2C53MC8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50112793 (1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...) Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1 Show InChI InChI=1S/C25H31N3O3/c1-29-24-12-11-20(18-25(24)30-2)23-19-22(31-26-23)10-6-7-13-27-14-16-28(17-15-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells				Bioorg Med Chem Lett 12: 1327-30 (2002) BindingDB Entry DOI: 10.7270/Q2C53MC8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50112793 (1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...) Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)c2ccccc2)on1 Show InChI InChI=1S/C25H31N3O3/c1-29-24-12-11-20(18-25(24)30-2)23-19-22(31-26-23)10-6-7-13-27-14-16-28(17-15-27)21-8-4-3-5-9-21/h3-5,8-9,11-12,18-19H,6-7,10,13-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of the radioligand [3H]spiperone from the cloned human Dopamine receptor D2 long expressed in CHO cells				Bioorg Med Chem Lett 12: 1327-30 (2002) BindingDB Entry DOI: 10.7270/Q2C53MC8
					More data for this Ligand-Target Pair