BDBM50088391 1,3-Dioxo-2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL68913

SMILES: COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C

InChI Key: InChIKey=ZVZCHVBOZRWHPS-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 = 50088391   

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))	BDBM50088391 (1,3-Dioxo-2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-...) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C34H40N4O8/c1-21(2)46-28-9-7-6-8-27(28)37-14-12-36(13-15-37)20-24(39)19-35-32(40)22-10-11-25-26(16-22)34(42)38(33(25)41)23-17-29(43-3)31(45-5)30(18-23)44-4/h6-11,16-18,21,24,39H,12-15,19-20H2,1-5H3,(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.22	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))	BDBM50088391 (1,3-Dioxo-2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-...) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C34H40N4O8/c1-21(2)46-28-9-7-6-8-27(28)37-14-12-36(13-15-37)20-24(39)19-35-32(40)22-10-11-25-26(16-22)34(42)38(33(25)41)23-17-29(43-3)31(45-5)30(18-23)44-4/h6-11,16-18,21,24,39H,12-15,19-20H2,1-5H3,(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	152	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))	BDBM50088391 (1,3-Dioxo-2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-...) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C34H40N4O8/c1-21(2)46-28-9-7-6-8-27(28)37-14-12-36(13-15-37)20-24(39)19-35-32(40)22-10-11-25-26(16-22)34(42)38(33(25)41)23-17-29(43-3)31(45-5)30(18-23)44-4/h6-11,16-18,21,24,39H,12-15,19-20H2,1-5H3,(H,35,40)	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