BDBM50112801 1-Benzhydryl-4-{4-[3-(3,4-dimethoxy-phenyl)-isoxazol-5-yl]-butyl}-piperazine; hydrochloride::CHEMBL542571

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

InChI Key: InChIKey=RRGIAVYUCTYDDX-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 = 50112801   

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))	BDBM50112801 (1-Benzhydryl-4-{4-[3-(3,4-dimethoxy-phenyl)-isoxaz...) Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1 Show InChI InChI=1S/C32H37N3O3/c1-36-30-17-16-27(23-31(30)37-2)29-24-28(38-33-29)15-9-10-18-34-19-21-35(22-20-34)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,16-17,23-24,32H,9-10,15,18-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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))	BDBM50112801 (1-Benzhydryl-4-{4-[3-(3,4-dimethoxy-phenyl)-isoxaz...) Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1 Show InChI InChI=1S/C32H37N3O3/c1-36-30-17-16-27(23-31(30)37-2)29-24-28(38-33-29)15-9-10-18-34-19-21-35(22-20-34)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,16-17,23-24,32H,9-10,15,18-22H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.44E+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 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))	BDBM50112801 (1-Benzhydryl-4-{4-[3-(3,4-dimethoxy-phenyl)-isoxaz...) Show SMILES COc1ccc(cc1OC)-c1cc(CCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)on1 Show InChI InChI=1S/C32H37N3O3/c1-36-30-17-16-27(23-31(30)37-2)29-24-28(38-33-29)15-9-10-18-34-19-21-35(22-20-34)32(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-14,16-17,23-24,32H,9-10,15,18-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.62E+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