BDBM50016963 2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butyl]-isoindole-1,3-dione; hydrochloride::CHEMBL554473

SMILES: O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12

InChI Key: InChIKey=GTWNHABCHSGVMM-UHFFFAOYSA-N

Data: 5 IC50

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 = 50016963   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description In vitro inhibition of arachidonic acid induced platelet aggregation in human platelet-rich plasma				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at Dopamine receptor D2 of rat corpus striatum by displacing [3H]spiperone				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair