BDBM50122047 CHEMBL157388::N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide

SMILES: COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1

InChI Key: InChIKey=YJEZRUGENOMVCI-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 = 50122047   

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))	BDBM50122047 (CHEMBL157388 | N-{2-[4-(3-Chloro-phenyl)-piperazin...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-7-2-4-16(14-19)20(25)22-8-9-23-10-12-24(13-11-23)18-6-3-5-17(21)15-18/h2-7,14-15H,8-13H2,1H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50122047 (CHEMBL157388 | N-{2-[4-(3-Chloro-phenyl)-piperazin...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-7-2-4-16(14-19)20(25)22-8-9-23-10-12-24(13-11-23)18-6-3-5-17(21)15-18/h2-7,14-15H,8-13H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50122047 (CHEMBL157388 | N-{2-[4-(3-Chloro-phenyl)-piperazin...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-7-2-4-16(14-19)20(25)22-8-9-23-10-12-24(13-11-23)18-6-3-5-17(21)15-18/h2-7,14-15H,8-13H2,1H3,(H,22,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	472	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50122047 (CHEMBL157388 | N-{2-[4-(3-Chloro-phenyl)-piperazin...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-7-2-4-16(14-19)20(25)22-8-9-23-10-12-24(13-11-23)18-6-3-5-17(21)15-18/h2-7,14-15H,8-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia 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
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair