BDBM50071661 3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one::CHEMBL83226

SMILES: [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O

InChI Key: InChIKey=GSTGFHBCLUCUEI-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50071661   

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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50071661 (3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...) Show SMILES [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C23H24N4O7S/c28-22-18-15-17(27(30)31)7-8-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50071661 (3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...) Show SMILES [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C23H24N4O7S/c28-22-18-15-17(27(30)31)7-8-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50071661 (3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...) Show SMILES [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O Show InChI InChI=1S/C23H24N4O7S/c28-22-18-15-17(27(30)31)7-8-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	351	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Ability to displace beta ([125I]-iodo-4-hydroxyphenyl) ethylamino methyl tetralone from human cloned Alpha-1d adrenergic receptor stably expressed in...				Bioorg Med Chem Lett 8: 2467-72 (1999) BindingDB Entry DOI: 10.7270/Q2NP23K1
					More data for this Ligand-Target Pair