BDBM50088414 2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL304977

SMILES: CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1

InChI Key: InChIKey=CCJMGYBFMJJAIY-DEOSSOPVSA-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 = 50088414   

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))	BDBM50088414 (2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1 Show InChI InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	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))	BDBM50088414 (2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1 Show InChI InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	137	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
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50088414 (2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1 Show InChI InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1	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