BDBM50415782 CHEMBL1077168

SMILES: COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=WNJWFQHRCYRXOC-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 = 50415782   

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))	BDBM50415782 (CHEMBL1077168) Show SMILES COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(17-22)28-16-15-26-18-24-19-29-25(30-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,24,26H,15-16,18-19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63	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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50415782 (CHEMBL1077168) Show SMILES COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(17-22)28-16-15-26-18-24-19-29-25(30-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,24,26H,15-16,18-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.5	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50415782 (CHEMBL1077168) Show SMILES COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(17-22)28-16-15-26-18-24-19-29-25(30-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,24,26H,15-16,18-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.9	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))	BDBM50415782 (CHEMBL1077168) Show SMILES COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(17-22)28-16-15-26-18-24-19-29-25(30-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,17,24,26H,15-16,18-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91.2	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