BDBM50415785 CHEMBL1079065

SMILES: COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC

InChI Key: InChIKey=NTHBZKNEJJJYGF-UHFFFAOYSA-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 = 50415785   

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))	BDBM50415785 (CHEMBL1079065) Show SMILES COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C26H29NO5/c1-28-24-14-13-22(17-25(24)29-2)30-16-15-27-18-23-19-31-26(32-23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,23,27H,15-16,18-19H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97.7	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))	BDBM50415785 (CHEMBL1079065) Show SMILES COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C26H29NO5/c1-28-24-14-13-22(17-25(24)29-2)30-16-15-27-18-23-19-31-26(32-23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,23,27H,15-16,18-19H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50415785 (CHEMBL1079065) Show SMILES COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C26H29NO5/c1-28-24-14-13-22(17-25(24)29-2)30-16-15-27-18-23-19-31-26(32-23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,23,27H,15-16,18-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50415785 (CHEMBL1079065) Show SMILES COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C26H29NO5/c1-28-24-14-13-22(17-25(24)29-2)30-16-15-27-18-23-19-31-26(32-23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,23,27H,15-16,18-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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