BDBM50069566 3-(4-Methoxy-phenyl)-1-(6-methyl-benzo[1,2,5]thiadiazol-5-ylmethyl)-5-propoxy-1H-indole-2-carboxylic acid::CHEMBL306863

SMILES: CCCOc1ccc2n(Cc3cc4nsnc4cc3C)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1

InChI Key: InChIKey=RXKXHBLTJDZCBK-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 = 50069566   

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
EDNRA (RAT)	BDBM50069566 (3-(4-Methoxy-phenyl)-1-(6-methyl-benzo[1,2,5]thiad...) Show SMILES CCCOc1ccc2n(Cc3cc4nsnc4cc3C)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1 Show InChI InChI=1S/C27H25N3O4S/c1-4-11-34-20-9-10-24-21(14-20)25(17-5-7-19(33-3)8-6-17)26(27(31)32)30(24)15-18-13-23-22(12-16(18)2)28-35-29-23/h5-10,12-14H,4,11,15H2,1-3H3,(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50069566 (3-(4-Methoxy-phenyl)-1-(6-methyl-benzo[1,2,5]thiad...) Show SMILES CCCOc1ccc2n(Cc3cc4nsnc4cc3C)c(C(O)=O)c(-c3ccc(OC)cc3)c2c1 Show InChI InChI=1S/C27H25N3O4S/c1-4-11-34-20-9-10-24-21(14-20)25(17-5-7-19(33-3)8-6-17)26(27(31)32)30(24)15-18-13-23-22(12-16(18)2)28-35-29-23/h5-10,12-14H,4,11,15H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to porcine kidney inner medulla membrane Endothelin B receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair