BDBM50395622 CHEMBL2163689

SMILES: Brc1ccc(cc1)-c1c(NS(=O)(=O)N2CCOCC2)ncnc1OCCOc1ncc(Br)cn1

InChI Key: InChIKey=XCUHHFLCIVGCRF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50395622   

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
EDNRB (Homo sapiens (Human))	BDBM50395622 (CHEMBL2163689) Show SMILES Brc1ccc(cc1)-c1c(NS(=O)(=O)N2CCOCC2)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C20H20Br2N6O5S/c21-15-3-1-14(2-4-15)17-18(27-34(29,30)28-5-7-31-8-6-28)25-13-26-19(17)32-9-10-33-20-23-11-16(22)12-24-20/h1-4,11-13H,5-10H2,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50395622 (CHEMBL2163689) Show SMILES Brc1ccc(cc1)-c1c(NS(=O)(=O)N2CCOCC2)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C20H20Br2N6O5S/c21-15-3-1-14(2-4-15)17-18(27-34(29,30)28-5-7-31-8-6-28)25-13-26-19(17)32-9-10-33-20-23-11-16(22)12-24-20/h1-4,11-13H,5-10H2,(H,25,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis				J Med Chem 55: 7849-61 (2012) Article DOI: 10.1021/jm3009103 BindingDB Entry DOI: 10.7270/Q21C1XZT
					More data for this Ligand-Target Pair