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SMILES: OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=CYRZINCBPQQCOM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50513275   

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-1B adrenergic receptor (Homo sapiens (Human))	BDBM50513275 (CHEMBL4458714) Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1B expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024 BindingDB Entry DOI: 10.7270/Q26976XT
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50513275 (CHEMBL4458714) Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024 BindingDB Entry DOI: 10.7270/Q26976XT
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50513275 (CHEMBL4458714) Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024 BindingDB Entry DOI: 10.7270/Q26976XT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50513275 (CHEMBL4458714) Show SMILES OC(=O)C(O)=O.COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-19-18-27-17-16-23-20-30-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-15,23,27H,16-20H2,1H3;(H,3,4)(H,5,6)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024 BindingDB Entry DOI: 10.7270/Q26976XT
					More data for this Ligand-Target Pair