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SMILES: CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1

InChI Key: InChIKey=UOPZCHLWGQQVGX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002322   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50002322 (4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...) Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002322 (4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...) Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50002322 (4-[4-(5-Fluoro-4-methylsulfanyl-pyrimidin-2-yl)-pi...) Show SMILES CSc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H24F2N4OS/c1-27-18-16(21)13-22-19(23-18)25-11-9-24(10-12-25)8-2-3-17(26)14-4-6-15(20)7-5-14/h4-7,13,17,26H,2-3,8-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair