BDBM50112785 1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine; hydrochloride::CHEMBL543278

SMILES: COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1

InChI Key: InChIKey=GNYOQFHOPOYCQH-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 = 50112785   

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))	BDBM50112785 (1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...) Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1 Show InChI InChI=1S/C26H33N3O4/c1-30-20-11-12-22(26(19-20)32-3)23-18-21(33-27-23)8-6-7-13-28-14-16-29(17-15-28)24-9-4-5-10-25(24)31-2/h4-5,9-12,18-19H,6-8,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	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))	BDBM50112785 (1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...) Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1 Show InChI InChI=1S/C26H33N3O4/c1-30-20-11-12-22(26(19-20)32-3)23-18-21(33-27-23)8-6-7-13-28-14-16-29(17-15-28)24-9-4-5-10-25(24)31-2/h4-5,9-12,18-19H,6-8,13-17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	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))	BDBM50112785 (1-{4-[3-(2,4-Dimethoxy-phenyl)-isoxazol-5-yl]-buty...) Show SMILES COc1ccc(-c2cc(CCCCN3CCN(CC3)c3ccccc3OC)on2)c(OC)c1 Show InChI InChI=1S/C26H33N3O4/c1-30-20-11-12-22(26(19-20)32-3)23-18-21(33-27-23)8-6-7-13-28-14-16-29(17-15-28)24-9-4-5-10-25(24)31-2/h4-5,9-12,18-19H,6-8,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	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