null

SMILES: COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12

InChI Key: InChIKey=HWPIJKYZIWLKPB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50171680   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50171680 (1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...) Show SMILES COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12 Show InChI InChI=1S/C33H38N4O3S/c1-23-14-17-37(31(38)22-27-28(39-2)11-7-12-29(27)40-3)32-24(8-6-10-25(23)32)15-16-35-18-20-36(21-19-35)33-26-9-4-5-13-30(26)41-34-33/h4-13,23H,14-22H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells				Bioorg Med Chem Lett 15: 4560-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.097 BindingDB Entry DOI: 10.7270/Q27S7NBQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50171680 (1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...) Show SMILES COc1cccc(OC)c1CC(=O)N1CCC(C)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12 Show InChI InChI=1S/C33H38N4O3S/c1-23-14-17-37(31(38)22-27-28(39-2)11-7-12-29(27)40-3)32-24(8-6-10-25(23)32)15-16-35-18-20-36(21-19-35)33-26-9-4-5-13-30(26)41-34-33/h4-13,23H,14-22H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 15: 4560-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.097 BindingDB Entry DOI: 10.7270/Q27S7NBQ
					More data for this Ligand-Target Pair