BDBM50395634 CHEMBL2165331

SMILES: Brc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccccc2)nc1

InChI Key: InChIKey=NECQSUNUSOOPMU-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 = 50395634   

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))	BDBM50395634 (CHEMBL2165331) Show SMILES Brc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccccc2)nc1 Show InChI InChI=1S/C23H21BrN6O4S/c24-19-14-25-23(26-15-19)34-12-11-33-22-20(18-9-5-2-6-10-18)21(27-16-28-22)30-35(31,32)29-13-17-7-3-1-4-8-17/h1-10,14-16,29H,11-13H2,(H,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.07E+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))	BDBM50395634 (CHEMBL2165331) Show SMILES Brc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccccc2)nc1 Show InChI InChI=1S/C23H21BrN6O4S/c24-19-14-25-23(26-15-19)34-12-11-33-22-20(18-9-5-2-6-10-18)21(27-16-28-22)30-35(31,32)29-13-17-7-3-1-4-8-17/h1-10,14-16,29H,11-13H2,(H,27,28,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	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