BDBM50016976 3-{4-[4-(1-Methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-butyl}-1-thia-3-aza-spiro[4.4]nonane-2,4-dione; hydrochloride::CHEMBL543493

SMILES: Cn1ccc2c(nccc12)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1

InChI Key: InChIKey=ORDSVYXFMRRIFU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50016976   

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 1A (Rattus norvegicus (rat))	BDBM50016976 (3-{4-[4-(1-Methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)-p...) Show SMILES Cn1ccc2c(nccc12)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C23H31N5O2S/c1-25-13-7-18-19(25)6-10-24-20(18)27-16-14-26(15-17-27)11-4-5-12-28-21(29)23(31-22(28)30)8-2-3-9-23/h6-7,10,13H,2-5,8-9,11-12,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	246	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 1A receptor 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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50016976 (3-{4-[4-(1-Methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)-p...) Show SMILES Cn1ccc2c(nccc12)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1 Show InChI InChI=1S/C23H31N5O2S/c1-25-13-7-18-19(25)6-10-24-20(18)27-16-14-26(15-17-27)11-4-5-12-28-21(29)23(31-22(28)30)8-2-3-9-23/h6-7,10,13H,2-5,8-9,11-12,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	517	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