BDBM50071662 2-Oxo-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-2,3-dihydro-benzooxazole-6-carboxylic acid methyl ester::CHEMBL311290

SMILES: COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1

InChI Key: InChIKey=JWKSOUFQGFGEKE-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 = 50071662   

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))	BDBM50071662 (2-Oxo-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H27N3O7S/c1-34-24(30)17-8-9-20-21(16-17)35-25(31)28(20)18-10-14-26(15-11-18)12-4-5-13-27-23(29)19-6-2-3-7-22(19)36(27,32)33/h2-3,6-9,16,18H,4-5,10-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.03E+3	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))	BDBM50071662 (2-Oxo-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H27N3O7S/c1-34-24(30)17-8-9-20-21(16-17)35-25(31)28(20)18-10-14-26(15-11-18)12-4-5-13-27-23(29)19-6-2-3-7-22(19)36(27,32)33/h2-3,6-9,16,18H,4-5,10-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.96E+3	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))	BDBM50071662 (2-Oxo-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H27N3O7S/c1-34-24(30)17-8-9-20-21(16-17)35-25(31)28(20)18-10-14-26(15-11-18)12-4-5-13-27-23(29)19-6-2-3-7-22(19)36(27,32)33/h2-3,6-9,16,18H,4-5,10-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.43E+3	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