BDBM50116933 1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-oxazol-4-ylmethyl}-azepan-2-one::CHEMBL83791

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1

InChI Key: InChIKey=LNUAEDPBKADXTB-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 = 50116933   

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))	BDBM50116933 (1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1 Show InChI InChI=1S/C24H34N4O3/c1-19(2)31-22-9-6-5-8-21(22)27-14-12-26(13-15-27)17-23-25-20(18-30-23)16-28-11-7-3-4-10-24(28)29/h5-6,8-9,18-19H,3-4,7,10-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50116933 (1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1 Show InChI InChI=1S/C24H34N4O3/c1-19(2)31-22-9-6-5-8-21(22)27-14-12-26(13-15-27)17-23-25-20(18-30-23)16-28-11-7-3-4-10-24(28)29/h5-6,8-9,18-19H,3-4,7,10-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50116933 (1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1 Show InChI InChI=1S/C24H34N4O3/c1-19(2)31-22-9-6-5-8-21(22)27-14-12-26(13-15-27)17-23-25-20(18-30-23)16-28-11-7-3-4-10-24(28)29/h5-6,8-9,18-19H,3-4,7,10-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair