BDBM50228241 CHEMBL540511

SMILES: Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=OWEDKIKQFHJPEV-CXTQECRMSA-N

Data: 3 IC50

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 = 50228241   

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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50228241 (CHEMBL540511) Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28| Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Pharmacologie (UA 589 CNRS) Curated by ChEMBL					Assay Description Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation				J Med Chem 32: 1402-7 (1989) BindingDB Entry DOI: 10.7270/Q2SQ92M9
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50228241 (CHEMBL540511) Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28| Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Pharmacologie (UA 589 CNRS) Curated by ChEMBL					Assay Description Alpha-2-adrenolytic activity was assessed in vitro from the ability to inhibit norepinephrine binding to guinea pig vas deferens				J Med Chem 32: 1402-7 (1989) BindingDB Entry DOI: 10.7270/Q2SQ92M9
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50228241 (CHEMBL540511) Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28| Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Pharmacologie (UA 589 CNRS) Curated by ChEMBL					Assay Description Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation				J Med Chem 32: 1402-7 (1989) BindingDB Entry DOI: 10.7270/Q2SQ92M9
					More data for this Ligand-Target Pair