Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50043642   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (Homo sapiens (Human))	BDBM82088 (CAS_15574-96-6 | NSC_27400 | PIZOTIFEN) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin)				Bioorg Med Chem 21: 7841-52 (2013) Article DOI: 10.1016/j.bmc.2013.10.010 BindingDB Entry DOI: 10.7270/Q2FN17N0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50444039 (CHEMBL3092759) Show SMILES NC(=N)NC(=O)c1ccc-2c(c1)C(O)c1ccccc-21 Show InChI InChI=1S/C15H13N3O2/c16-15(17)18-14(20)8-5-6-10-9-3-1-2-4-11(9)13(19)12(10)7-8/h1-7,13,19H,(H4,16,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin)				Bioorg Med Chem 21: 7841-52 (2013) Article DOI: 10.1016/j.bmc.2013.10.010 BindingDB Entry DOI: 10.7270/Q2FN17N0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50444040 (CHEMBL3092753) Show SMILES NC(=N)NC(=O)c1ccc-2c(Cc3ccccc-23)c1 Show InChI InChI=1S/C15H13N3O/c16-15(17)18-14(19)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H4,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin)				Bioorg Med Chem 21: 7841-52 (2013) Article DOI: 10.1016/j.bmc.2013.10.010 BindingDB Entry DOI: 10.7270/Q2FN17N0
					More data for this Ligand-Target Pair