BDBM50409812 CHEMBL1087942::CHEMBL287686

SMILES: COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XRTCZMPGERZCKE-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50409812   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50409812 (CHEMBL1087942 | CHEMBL287686) Show SMILES COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50409812 (CHEMBL1087942 | CHEMBL287686) Show SMILES COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human Alpha-1B adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50409812 (CHEMBL1087942 | CHEMBL287686) Show SMILES COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50409812 (CHEMBL1087942 | CHEMBL287686) Show SMILES COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human Alpha-1D adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50409812 (CHEMBL1087942 | CHEMBL287686) Show SMILES COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO5/c1-28-23-14-9-15-24(29-2)25(23)30-17-16-27-18-22-19-31-26(32-22,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,27H,16-19H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				J Med Chem 46: 1504-11 (2003) Article DOI: 10.1021/jm021078o BindingDB Entry DOI: 10.7270/Q2VQ33WN
					More data for this Ligand-Target Pair