BDBM50342708 3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]isoquinolin-1(2H)-one::CHEMBL1771114

SMILES: COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#C)CC1

InChI Key: InChIKey=XKAIELUQYYUCFN-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 = 50342708   

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))	BDBM50342708 (3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)pip...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#C)CC1 Show InChI InChI=1S/C26H31N3O2/c1-3-21-10-11-23-22(20-21)12-15-29(26(23)30)14-7-6-13-27-16-18-28(19-17-27)24-8-4-5-9-25(24)31-2/h1,4-5,8-11,20H,6-7,12-19H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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))	BDBM50342708 (3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)pip...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#C)CC1 Show InChI InChI=1S/C26H31N3O2/c1-3-21-10-11-23-22(20-21)12-15-29(26(23)30)14-7-6-13-27-16-18-28(19-17-27)24-8-4-5-9-25(24)31-2/h1,4-5,8-11,20H,6-7,12-19H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	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))	BDBM50342708 (3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)pip...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#C)CC1 Show InChI InChI=1S/C26H31N3O2/c1-3-21-10-11-23-22(20-21)12-15-29(26(23)30)14-7-6-13-27-16-18-28(19-17-27)24-8-4-5-9-25(24)31-2/h1,4-5,8-11,20H,6-7,12-19H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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)	BDBM50342708 (3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)pip...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#C)CC1 Show InChI InChI=1S/C26H31N3O2/c1-3-21-10-11-23-22(20-21)12-15-29(26(23)30)14-7-6-13-27-16-18-28(19-17-27)24-8-4-5-9-25(24)31-2/h1,4-5,8-11,20H,6-7,12-19H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	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)	BDBM50342708 (3,4-Dihydro-6-ethynyl-2-[4-(4-(2-methoxyphenyl)pip...) Show SMILES COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)C#C)CC1 Show InChI InChI=1S/C26H31N3O2/c1-3-21-10-11-23-22(20-21)12-15-29(26(23)30)14-7-6-13-27-16-18-28(19-17-27)24-8-4-5-9-25(24)31-2/h1,4-5,8-11,20H,6-7,12-19H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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