BDBM50104125 2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione::CHEMBL69717

SMILES: Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl

InChI Key: InChIKey=SGVBRIHFEULKBC-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 = 50104125   

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 (Homo sapiens (Human))	BDBM50104125 (2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-buty...) Show SMILES Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at dopamine receptor D3				J Med Chem 44: 3175-86 (2001) BindingDB Entry DOI: 10.7270/Q2WD419S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50104125 (2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-buty...) Show SMILES Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand				Bioorg Med Chem Lett 13: 2179-83 (2003) BindingDB Entry DOI: 10.7270/Q21Z43SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50104125 (2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-buty...) Show SMILES Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity towards rat Dopamine receptor D2 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand				Bioorg Med Chem Lett 13: 2179-83 (2003) BindingDB Entry DOI: 10.7270/Q21Z43SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50104125 (2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-buty...) Show SMILES Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at human dopamine receptor D2				J Med Chem 44: 3175-86 (2001) BindingDB Entry DOI: 10.7270/Q2WD419S
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50104125 (2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-buty...) Show SMILES Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at human dopamine receptor D4				J Med Chem 44: 3175-86 (2001) BindingDB Entry DOI: 10.7270/Q2WD419S
					More data for this Ligand-Target Pair