BDBM50367316 CHEMBL1203226

SMILES: O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=HQMYLWJEICVODO-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 = 50367316   

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))	BDBM50367316 (CHEMBL1203226) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(9-3-4-10-22)29-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-17-7-1-2-8-18(17)30-23-19/h1-2,7-8H,3-6,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367316 (CHEMBL1203226) Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(9-3-4-10-22)29-21(28)26(20)12-6-5-11-24-13-15-25(16-14-24)19-17-7-1-2-8-18(17)30-23-19/h1-2,7-8H,3-6,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spiperone				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair