BDBM50003331 CHEMBL101322::CHEMBL1204312::N-[4-oxo-1'-[2-(2-pyridyl)ethyl]spiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]-6-yl]methanesulfonamide

SMILES: CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1

InChI Key: InChIKey=XKYLWRMBNQDHDM-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50003331   

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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50003331 (CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...) Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1 Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50003331 (CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...) Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1 Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50003331 (CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...) Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1 Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells				Bioorg Med Chem Lett 9: 291-4 (1999) BindingDB Entry DOI: 10.7270/Q20G3JBP
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50003331 (CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...) Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1 Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...				J Med Chem 35: 3973-6 (1992) BindingDB Entry DOI: 10.7270/Q29P327D
					More data for this Ligand-Target Pair