BDBM50475530 CHEMBL200580

SMILES: COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1

InChI Key: InChIKey=VFBXMTYMQDPWHB-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 = 50475530   

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
Adrenergic receptor (Homo sapiens (Human))	BDBM50475530 (CHEMBL200580) Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50475530 (CHEMBL200580) Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50475530 (CHEMBL200580) Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475530 (CHEMBL200580) Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from cloned human 5HT1A receptor expressed in HeLa cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair