BDBM50108204 3-[1-Benzo[1,3]dioxol-5-yl-2-(2-ethoxy-4-methyl-benzenesulfonylamino)-2-oxo-ethyl]-1-methyl-1H-indole-6-carboxylic acid amide::CHEMBL22513

SMILES: CCOc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=UEHPBBFVUYURNP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50108204   

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))	BDBM50108204 (3-[1-Benzo[1,3]dioxol-5-yl-2-(2-ethoxy-4-methyl-be...) Show SMILES CCOc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N3O7S/c1-4-36-24-11-16(2)5-10-25(24)39(34,35)30-28(33)26(17-7-9-22-23(13-17)38-15-37-22)20-14-31(3)21-12-18(27(29)32)6-8-19(20)21/h5-14,26H,4,15H2,1-3H3,(H2,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity towards human cloned endothelin B receptor by [125I]-ET-1 displacement.				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50108204 (3-[1-Benzo[1,3]dioxol-5-yl-2-(2-ethoxy-4-methyl-be...) Show SMILES CCOc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N3O7S/c1-4-36-24-11-16(2)5-10-25(24)39(34,35)30-28(33)26(17-7-9-22-23(13-17)38-15-37-22)20-14-31(3)21-12-18(27(29)32)6-8-19(20)21/h5-14,26H,4,15H2,1-3H3,(H2,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [I125]ET1 from Homo sapiens (human) ETB receptor expressed in CHO cells				Citation and Details Article DOI: 10.1007/s00044-004-0021-y BindingDB Entry DOI: 10.7270/Q2K64N0B
					More data for this Ligand-Target Pair
Endothelin receptor, ET-A/ET-B (Homo sapiens (Human))	BDBM50108204 (3-[1-Benzo[1,3]dioxol-5-yl-2-(2-ethoxy-4-methyl-be...) Show SMILES CCOc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N3O7S/c1-4-36-24-11-16(2)5-10-25(24)39(34,35)30-28(33)26(17-7-9-22-23(13-17)38-15-37-22)20-14-31(3)21-12-18(27(29)32)6-8-19(20)21/h5-14,26H,4,15H2,1-3H3,(H2,29,32)(H,30,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [I125]ET1 from Homo sapiens (human) ETA receptor expressed in CHO cells				Citation and Details Article DOI: 10.1007/s00044-004-0021-y BindingDB Entry DOI: 10.7270/Q2K64N0B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50108204 (3-[1-Benzo[1,3]dioxol-5-yl-2-(2-ethoxy-4-methyl-be...) Show SMILES CCOc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N3O7S/c1-4-36-24-11-16(2)5-10-25(24)39(34,35)30-28(33)26(17-7-9-22-23(13-17)38-15-37-22)20-14-31(3)21-12-18(27(29)32)6-8-19(20)21/h5-14,26H,4,15H2,1-3H3,(H2,29,32)(H,30,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair