BDBM50395635 CHEMBL2165330

SMILES: COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1

InChI Key: InChIKey=ADKWUFCPMCLUKI-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 = 50395635   

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))	BDBM50395635 (CHEMBL2165330) Show SMILES COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1 Show InChI InChI=1S/C24H22BrClN6O6S/c1-35-18-7-8-19(26)20(11-18)38-21-22(32-39(33,34)31-12-16-5-3-2-4-6-16)29-15-30-23(21)36-9-10-37-24-27-13-17(25)14-28-24/h2-8,11,13-15,31H,9-10,12H2,1H3,(H,29,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	712	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))	BDBM50395635 (CHEMBL2165330) Show SMILES COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1 Show InChI InChI=1S/C24H22BrClN6O6S/c1-35-18-7-8-19(26)20(11-18)38-21-22(32-39(33,34)31-12-16-5-3-2-4-6-16)29-15-30-23(21)36-9-10-37-24-27-13-17(25)14-28-24/h2-8,11,13-15,31H,9-10,12H2,1H3,(H,29,30,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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