BDBM50016964 3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butyl]-1-thia-3-aza-spiro[4.4]nonane-2,4-dione; hydrochloride::CHEMBL537707

SMILES: O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12

InChI Key: InChIKey=OCBRWFLMBAUWCG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50016964   

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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50016964 (3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 2 receptor 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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50016964 (3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50016964 (3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	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...)	BDBM50016964 (3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
					More data for this Ligand-Target Pair