BDBM50058222 CHEMBL51023::N-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-4-methyl-benzamide

SMILES: COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1

InChI Key: InChIKey=YBUOJMCAVXYQBO-UHFFFAOYSA-N

Data: 6 KI  1 EC50

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 = 50058222   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity of compound towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D2 was determined by using [3H]spiperone as radioligand				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50058222 (CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...) Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Agonist activation of human dopamine receptor stimulating mitogenesis in Dopamine receptor D4-transfected CHO pro-5 cells using [3H]-thymidine as rad...				J Med Chem 40: 1771-2 (1997) Article DOI: 10.1021/jm970021c BindingDB Entry DOI: 10.7270/Q2DB80XX
					More data for this Ligand-Target Pair