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SMILES: COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12

InChI Key: InChIKey=GPANICKLGIVBML-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50265446   

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))	BDBM50265446 (3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...) Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12 Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50265446 (3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...) Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12 Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50265446 (3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...) Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12 Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265446 (3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...) Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12 Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50265446 (3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...) Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12 Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50265446 (3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...) Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12 Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry				J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD
					More data for this Ligand-Target Pair