BDBM50002733 CHEMBL214552

SMILES: Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1

InChI Key: InChIKey=JHHAAVCPJVMVLF-VEIFNGETSA-N

Data: 4 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 4 hits for monomerid = 50002733   

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))	BDBM50002733 (CHEMBL214552) Show SMILES Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r| Show InChI InChI=1S/C24H25NO4.ClH/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20;/h2-12,15,20,25H,13-14,16-17H2,1H3;1H/t20-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50002733 (CHEMBL214552) Show SMILES Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r| Show InChI InChI=1S/C24H25NO4.ClH/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20;/h2-12,15,20,25H,13-14,16-17H2,1H3;1H/t20-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50002733 (CHEMBL214552) Show SMILES Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r| Show InChI InChI=1S/C24H25NO4.ClH/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20;/h2-12,15,20,25H,13-14,16-17H2,1H3;1H/t20-;/m1./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expressed in CHO cells				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50002733 (CHEMBL214552) Show SMILES Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r| Show InChI InChI=1S/C24H25NO4.ClH/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20;/h2-12,15,20,25H,13-14,16-17H2,1H3;1H/t20-;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus				J Med Chem 49: 7140-9 (2006) Checked by Author Article DOI: 10.1021/jm060358r BindingDB Entry DOI: 10.7270/Q25Q4XBK
					More data for this Ligand-Target Pair