BDBM50122039 CHEMBL152391::N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide

SMILES: COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=LNAUHJFPPUQFSP-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 = 50122039   

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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50122039 (CHEMBL152391 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-18-7-4-6-17(16-18)22(28)25-10-2-3-11-26-12-14-27(15-13-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	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(4) dopamine receptor (Homo sapiens (Human))	BDBM50122039 (CHEMBL152391 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-18-7-4-6-17(16-18)22(28)25-10-2-3-11-26-12-14-27(15-13-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50122039 (CHEMBL152391 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-18-7-4-6-17(16-18)22(28)25-10-2-3-11-26-12-14-27(15-13-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	123	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50122039 (CHEMBL152391 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H27Cl2N3O2/c1-29-18-7-4-6-17(16-18)22(28)25-10-2-3-11-26-12-14-27(15-13-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41E+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