BDBM50392641 CHEMBL2153553

SMILES: COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1

InChI Key: InChIKey=UIFMGKZUSHZGFQ-AWEZNQCLSA-N

Data: 4 KI  4 Kd

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 8 hits for monomerid = 50392641   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11.8	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1D adrenoceptor in Sprague-Dawley rat thoracic aorta assessed as inhibition of noradrenaline-induced contractions after 3...				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostate assessed as inhibition of noradrenaline-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostatic vas deferans assessed as inhibition of noradrenaline-induced contractions...				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50392641 (CHEMBL2153553) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.263	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair