BDBM50339685 4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt::CHEMBL1689006

SMILES: FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1

InChI Key: InChIKey=TVWNOPFEOFGKFJ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50339685   

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))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-IABN from human D2 receptor transfected in human HEK 293 cells by gamma-counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK2...				Bioorg Med Chem Lett 29: 2690-2694 (2019) Article DOI: 10.1016/j.bmcl.2019.07.020
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human D4 receptor transfected in human HEK293 cells by gamma-counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
Sigma-2 (RAT)	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50339685 (4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...) Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from guinea pig sigma1 receptor by liquid scintillation counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair