BDBM50088399 2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-2-methoxy-propyl}-amide::CHEMBL69245

SMILES: COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C

InChI Key: InChIKey=FSAKTEBFSIPADS-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 = 50088399   

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))	BDBM50088399 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H35FN4O5/c1-21(2)42-29-10-5-4-9-28(29)36-15-13-35(14-16-36)20-25(41-3)19-34-30(38)22-11-12-26-27(17-22)32(40)37(31(26)39)24-8-6-7-23(33)18-24/h4-12,17-18,21,25H,13-16,19-20H2,1-3H3,(H,34,38)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90	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))	BDBM50088399 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H35FN4O5/c1-21(2)42-29-10-5-4-9-28(29)36-15-13-35(14-16-36)20-25(41-3)19-34-30(38)22-11-12-26-27(17-22)32(40)37(31(26)39)24-8-6-7-23(33)18-24/h4-12,17-18,21,25H,13-16,19-20H2,1-3H3,(H,34,38)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	407	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))	BDBM50088399 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H35FN4O5/c1-21(2)42-29-10-5-4-9-28(29)36-15-13-35(14-16-36)20-25(41-3)19-34-30(38)22-11-12-26-27(17-22)32(40)37(31(26)39)24-8-6-7-23(33)18-24/h4-12,17-18,21,25H,13-16,19-20H2,1-3H3,(H,34,38)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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