BindingDB PrimarySearch

BDBM50175461 3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one::CHEMBL370110

SMILES: CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21

InChI Key: InChIKey=HIBUHKNMTZCDMF-UHFFFAOYSA-N

Data: 10 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50175461
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against dopamine D3 receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against dopamine D2(long) receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [35S]GTPgammaS from human recombinant 5HT1A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against 5HT5A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against 5HT2C receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity for rat 5HT1A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity for rat 5HT1B receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against 5HT2A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against 5HT7 receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [35S]GTPgammaS from human recombinant 5HT1A receptor				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50175461 (3-[2-(4-isoquinolin-4-yl-piperazin-1-yl)-ethyl]-7-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
Abbott GmbH & Co. KG Curated by ChEMBL					More data for this Ligand-Target Pair