BDBM50489336 CHEMBL3216576

SMILES: Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1

InChI Key: InChIKey=UFTGQPLDMLOBFO-JNSJFKBPSA-N

Data: 2 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 2 hits for monomerid = 50489336   

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))	BDBM50489336 (CHEMBL3216576) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C29H29ClN2O4.3ClH/c30-22-11-12-24-27(18-22)36-29-25(28(24)34)9-4-10-26(29)35-20-23(33)19-32-16-14-31(15-17-32)13-5-8-21-6-2-1-3-7-21;;;/h1-12,18,23,33H,13-17,19-20H2;3*1H/b8-5+;;;	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50489336 (CHEMBL3216576) Show SMILES Cl.Cl.Cl.OC(COc1cccc2c1oc1cc(Cl)ccc1c2=O)CN1CCN(C\C=C\c2ccccc2)CC1 Show InChI InChI=1S/C29H29ClN2O4.3ClH/c30-22-11-12-24-27(18-22)36-29-25(28(24)34)9-4-10-26(29)35-20-23(33)19-32-16-14-31(15-17-32)13-5-8-21-6-2-1-3-7-21;;;/h1-12,18,23,33H,13-17,19-20H2;3*1H/b8-5+;;;	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 21: 514-22 (2013) Article DOI: 10.1016/j.bmc.2012.11.014 BindingDB Entry DOI: 10.7270/Q2P27200
					More data for this Ligand-Target Pair