BDBM50088408 2-(2-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL68565

SMILES: COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C

InChI Key: InChIKey=IDSYRZJPBIXBRS-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 = 50088408   

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))	BDBM50088408 (2-(2-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50088408 (2-(2-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50088408 (2-(2-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair