BDBM50416858 CHEMBL1254743

SMILES: COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=LYVYZEAKTYROJI-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 = 50416858   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50416858 (CHEMBL1254743) Show SMILES COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells				Bioorg Med Chem 18: 7065-77 (2010) Article DOI: 10.1016/j.bmc.2010.08.002 BindingDB Entry DOI: 10.7270/Q2B27WKF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50416858 (CHEMBL1254743) Show SMILES COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human adrenergic alpha1A expressed in CHO cells				Bioorg Med Chem 18: 7065-77 (2010) Article DOI: 10.1016/j.bmc.2010.08.002 BindingDB Entry DOI: 10.7270/Q2B27WKF
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50416858 (CHEMBL1254743) Show SMILES COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human adrenergic Alpha-1B expressed in CHO cells				Bioorg Med Chem 18: 7065-77 (2010) Article DOI: 10.1016/j.bmc.2010.08.002 BindingDB Entry DOI: 10.7270/Q2B27WKF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50416858 (CHEMBL1254743) Show SMILES COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human adrenergic 5HT1A expressed in human HeLa cells cells				Bioorg Med Chem 18: 7065-77 (2010) Article DOI: 10.1016/j.bmc.2010.08.002 BindingDB Entry DOI: 10.7270/Q2B27WKF
					More data for this Ligand-Target Pair