BDBM50001860 1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azocan-2-one::CHEMBL347056

SMILES: COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1

InChI Key: InChIKey=IXXYHUVMEBTGED-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50001860   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001860 (1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C25H36N4O2/c1-26-21(12-13-22(26)20-29-14-8-4-3-5-11-25(29)30)19-27-15-17-28(18-16-27)23-9-6-7-10-24(23)31-2/h6-7,9-10,12-13H,3-5,8,11,14-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001860 (1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C25H36N4O2/c1-26-21(12-13-22(26)20-29-14-8-4-3-5-11-25(29)30)19-27-15-17-28(18-16-27)23-9-6-7-10-24(23)31-2/h6-7,9-10,12-13H,3-5,8,11,14-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50001860 (1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C25H36N4O2/c1-26-21(12-13-22(26)20-29-14-8-4-3-5-11-25(29)30)19-27-15-17-28(18-16-27)23-9-6-7-10-24(23)31-2/h6-7,9-10,12-13H,3-5,8,11,14-20H2,1-2H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50001860 (1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1...) Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1 Show InChI InChI=1S/C25H36N4O2/c1-26-21(12-13-22(26)20-29-14-8-4-3-5-11-25(29)30)19-27-15-17-28(18-16-27)23-9-6-7-10-24(23)31-2/h6-7,9-10,12-13H,3-5,8,11,14-20H2,1-2H3	PDB 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
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cort...				J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW
					More data for this Ligand-Target Pair