BDBM50112786 1-Benzhydryl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-piperazine; hydrochloride::CHEMBL541524

SMILES: C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZCBADRQTPNSBSB-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 = 50112786   

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))	BDBM50112786 (1-Benzhydryl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-...) Show SMILES C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O/c1-4-12-25(13-5-1)29-24-28(34-31-29)18-10-11-19-32-20-22-33(23-21-32)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,24,30H,10-11,18-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50112786 (1-Benzhydryl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-...) Show SMILES C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O/c1-4-12-25(13-5-1)29-24-28(34-31-29)18-10-11-19-32-20-22-33(23-21-32)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,24,30H,10-11,18-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	486	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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50112786 (1-Benzhydryl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-...) Show SMILES C(CCc1cc(no1)-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33N3O/c1-4-12-25(13-5-1)29-24-28(34-31-29)18-10-11-19-32-20-22-33(23-21-32)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,24,30H,10-11,18-23H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.24E+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