BDBM50342704 3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(2-thienyl)isoquinolin-1(2H)-one::CHEMBL1771110

SMILES: COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1

InChI Key: InChIKey=AMJCGARHMZJBKQ-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 = 50342704   

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))	BDBM50342704 (3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1 Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	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))	BDBM50342704 (3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1 Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	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))	BDBM50342704 (3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1 Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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)	BDBM50342704 (3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1 Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	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)	BDBM50342704 (3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1 Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	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))	BDBM50342704 (3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2cccs2)CC1 Show InChI InChI=1S/C28H33N3O2S/c1-33-26-8-3-2-7-25(26)30-18-16-29(17-19-30)13-4-5-14-31-15-12-22-21-23(27-9-6-20-34-27)10-11-24(22)28(31)32/h2-3,6-11,20-21H,4-5,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	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