BDBM50342712 6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-3,4-dihydroisoquinolin-1(2H)-one::CHEMBL1771106

SMILES: COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1

InChI Key: InChIKey=ZAZPPOBRQFIKRC-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 = 50342712   

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))	BDBM50342712 (6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)b...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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))	BDBM50342712 (6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)b...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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))	BDBM50342712 (6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)b...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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)	BDBM50342712 (6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)b...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	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)	BDBM50342712 (6-fluoro-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)b...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(F)ccc3C2=O)CC1 Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)27-16-14-26(15-17-27)11-4-5-12-28-13-10-19-18-20(25)8-9-21(19)24(28)29/h2-3,6-9,18H,4-5,10-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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