BDBM50071648 4-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one::CHEMBL82056

SMILES: Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12

InChI Key: InChIKey=JOAYDGACBFIMIA-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 = 50071648   

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))	BDBM50071648 (4-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 Show InChI InChI=1S/C24H27N3O5S/c1-17-7-6-9-20-22(17)27(24(29)32-20)18-11-15-25(16-12-18)13-4-5-14-26-23(28)19-8-2-3-10-21(19)33(26,30)31/h2-3,6-10,18H,4-5,11-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	147	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50071648 (4-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 Show InChI InChI=1S/C24H27N3O5S/c1-17-7-6-9-20-22(17)27(24(29)32-20)18-11-15-25(16-12-18)13-4-5-14-26-23(28)19-8-2-3-10-21(19)33(26,30)31/h2-3,6-10,18H,4-5,11-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.02E+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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50071648 (4-Methyl-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...) Show SMILES Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 Show InChI InChI=1S/C24H27N3O5S/c1-17-7-6-9-20-22(17)27(24(29)32-20)18-11-15-25(16-12-18)13-4-5-14-26-23(28)19-8-2-3-10-21(19)33(26,30)31/h2-3,6-10,18H,4-5,11-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.15E+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