BDBM50088390 1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL69143

SMILES: CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1

InChI Key: InChIKey=FXVQHGIESKOKTM-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 = 50088390   

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))	BDBM50088390 (1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carb...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1 Show InChI InChI=1S/C31H34N4O5/c1-21(2)40-28-11-7-6-10-27(28)34-16-14-33(15-17-34)20-24(36)19-32-29(37)22-12-13-25-26(18-22)31(39)35(30(25)38)23-8-4-3-5-9-23/h3-13,18,21,24,36H,14-17,19-20H2,1-2H3,(H,32,37)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	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))	BDBM50088390 (1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carb...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1 Show InChI InChI=1S/C31H34N4O5/c1-21(2)40-28-11-7-6-10-27(28)34-16-14-33(15-17-34)20-24(36)19-32-29(37)22-12-13-25-26(18-22)31(39)35(30(25)38)23-8-4-3-5-9-23/h3-13,18,21,24,36H,14-17,19-20H2,1-2H3,(H,32,37)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	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))	BDBM50088390 (1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carb...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1 Show InChI InChI=1S/C31H34N4O5/c1-21(2)40-28-11-7-6-10-27(28)34-16-14-33(15-17-34)20-24(36)19-32-29(37)22-12-13-25-26(18-22)31(39)35(30(25)38)23-8-4-3-5-9-23/h3-13,18,21,24,36H,14-17,19-20H2,1-2H3,(H,32,37)	UniProtKB/SwissProt 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
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