BDBM50111634 6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethyl}-3-methyl-3H-benzothiazol-2-one::CHEMBL15601

SMILES: Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O

InChI Key: InChIKey=NUAABSUTOZGFHF-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 = 50111634   

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 (Homo sapiens (Human))	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain ...				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50111634 (6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...) Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 1149-52 (2002) BindingDB Entry DOI: 10.7270/Q2G44PM6
					More data for this Ligand-Target Pair