BDBM50051164 2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoindole-1,3-dione::CHEMBL273241

SMILES: O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12

InChI Key: InChIKey=LUPMVYRKJBZCCI-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50051164   

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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]-8-OH-DPAT				J Med Chem 39: 1125-9 (1996) Article DOI: 10.1021/jm950662c BindingDB Entry DOI: 10.7270/Q21Z43H2
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor				J Med Chem 42: 4952-60 (2000) BindingDB Entry DOI: 10.7270/Q2833R7H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50051164 (2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...) Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12 Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida A&M University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 24: 3464-71 (2016) BindingDB Entry DOI: 10.7270/Q2X63PVP
					More data for this Ligand-Target Pair