BDBM50050915 CHEMBL72657::[2-(2,6-Dimethoxy-phenoxy)-ethyl]-((2S,3S)-3-p-tolyl-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine

SMILES: COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1

InChI Key: InChIKey=UNHGFWKSHHCRHF-DQEYMECFSA-N

Data: 8 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 8 hits for monomerid = 50050915   

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 (CALF)	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1A adrenergic receptor in bovine brainusing [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active				Bioorg Med Chem Lett 15: 657-64 (2005) Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1A adrenergic receptor in rat hipocampal membranes using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1D adrenergic receptor in rat brain using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1B adrenergic receptor hamster smooth muscle using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Alpha-1B adrenergic receptor in rat liver using [3H]-prazosin as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50050915 (CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...) Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	889	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor in rat hypocampus membrane using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2253-8 (1996) Article DOI: 10.1021/jm960069a BindingDB Entry DOI: 10.7270/Q22Z14NF
					More data for this Ligand-Target Pair