BDBM50071689 1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL79532

SMILES: COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1

InChI Key: InChIKey=YGPKJFYMSVJDNW-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 = 50071689   

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))	BDBM50071689 (1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1 Show InChI InChI=1S/C24H27ClN2O5S/c1-32-23(29)24(18-7-3-2-4-8-18)11-15-26(16-12-24)13-5-6-14-27-22(28)20-17-19(25)9-10-21(20)33(27,30)31/h2-4,7-10,17H,5-6,11-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay				Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50071689 (1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1 Show InChI InChI=1S/C24H27ClN2O5S/c1-32-23(29)24(18-7-3-2-4-8-18)11-15-26(16-12-24)13-5-6-14-27-22(28)20-17-19(25)9-10-21(20)33(27,30)31/h2-4,7-10,17H,5-6,11-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay				Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50071689 (1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*...) Show SMILES COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1 Show InChI InChI=1S/C24H27ClN2O5S/c1-32-23(29)24(18-7-3-2-4-8-18)11-15-26(16-12-24)13-5-6-14-27-22(28)20-17-19(25)9-10-21(20)33(27,30)31/h2-4,7-10,17H,5-6,11-16H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assay				Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G
					More data for this Ligand-Target Pair