BDBM50342709 2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4-dihydroisoquinolin-1(2H)-one::CHEMBL477250

SMILES: COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1

InChI Key: InChIKey=UIFXLMHCLOJOQC-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50342709   

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))	BDBM50342709 (2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50342709 (2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50342709 (2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
					More data for this Ligand-Target Pair
5-HT2 (PIG)	BDBM50342709 (2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]Ketanserin from pig 5-HT2 receptor				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50342709 (2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in pig striatal membranes				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50342709 (2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)13-6-7-14-27-15-12-20-8-2-3-9-21(20)24(27)28/h2-5,8-11H,6-7,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor expressed in dhfr-deficient CHO cells assessed as [3H]thymidine incorporation				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
					More data for this Ligand-Target Pair