BDBM50290510 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-6-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-3H-benzothiazol-2-one::CHEMBL314814

SMILES: COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1

InChI Key: InChIKey=COOVPPBNHHFYDF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50290510   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50290510 (3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50290510 (3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against D2 receptor in rat striatum using [3H]-Raclopride				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50290510 (3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]-ketanserin				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50290510 (3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor in rat choroid plexus using [3H]-N-methyl-mesulergine				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50290510 (3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1 Show InChI InChI=1S/C34H39FN4O3S/c1-42-31-5-3-2-4-29(31)38-21-18-37(19-22-38)15-12-25-6-11-30-32(24-25)43-34(41)39(30)23-20-36-16-13-27(14-17-36)33(40)26-7-9-28(35)10-8-26/h2-11,24,27H,12-23H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-OH-DPAT				Bioorg Med Chem Lett 7: 2579-2584 (1997) Article DOI: 10.1016/S0960-894X(97)10023-3 BindingDB Entry DOI: 10.7270/Q2QN66SR
					More data for this Ligand-Target Pair