BDBM50395642 CHEMBL2163724

SMILES: COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ccncc1

InChI Key: InChIKey=KSWCYNIYGNMXLW-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 = 50395642   

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))	BDBM50395642 (CHEMBL2163724) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ccncc1 Show InChI InChI=1S/C29H26BrN7O6S/c1-40-23-9-5-6-10-24(23)43-25-27(37-44(38,39)34-17-20-7-3-2-4-8-20)35-26(21-11-13-31-14-12-21)36-28(25)41-15-16-42-29-32-18-22(30)19-33-29/h2-14,18-19,34H,15-17H2,1H3,(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	561	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))	BDBM50395642 (CHEMBL2163724) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ccncc1 Show InChI InChI=1S/C29H26BrN7O6S/c1-40-23-9-5-6-10-24(23)43-25-27(37-44(38,39)34-17-20-7-3-2-4-8-20)35-26(21-11-13-31-14-12-21)36-28(25)41-15-16-42-29-32-18-22(30)19-33-29/h2-14,18-19,34H,15-17H2,1H3,(H,35,36,37)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	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