BDBM50080602 (2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(2,4,6-triethyl-phenylcarbamoyl)-methyl]-pyrrolidine-3-carboxylic acid::CHEMBL420729

SMILES: CCc1cc(CC)c(NC(=O)CN2C[C@@H]([C@H]([C@@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)c(CC)c1

InChI Key: InChIKey=BYIKTFONIZDLEI-FUKIBTTHSA-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 = 50080602   

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))	BDBM50080602 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCc1cc(CC)c(NC(=O)CN2C[C@@H]([C@H]([C@@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)c(CC)c1 Show InChI InChI=1S/C33H38N2O6/c1-5-20-14-21(6-2)31(22(7-3)15-20)34-29(36)18-35-17-26(24-10-13-27-28(16-24)41-19-40-27)30(33(37)38)32(35)23-8-11-25(39-4)12-9-23/h8-16,26,30,32H,5-7,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Endothelin B receptor (hET -B)				J Med Chem 42: 3668-78 (1999) Article DOI: 10.1021/jm990170q BindingDB Entry DOI: 10.7270/Q24T6HK7
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50080602 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCc1cc(CC)c(NC(=O)CN2C[C@@H]([C@H]([C@@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)c(CC)c1 Show InChI InChI=1S/C33H38N2O6/c1-5-20-14-21(6-2)31(22(7-3)15-20)34-29(36)18-35-17-26(24-10-13-27-28(16-24)41-19-40-27)30(33(37)38)32(35)23-8-11-25(39-4)12-9-23/h8-16,26,30,32H,5-7,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Endothelin A receptor (hET -A)				J Med Chem 42: 3668-78 (1999) Article DOI: 10.1021/jm990170q BindingDB Entry DOI: 10.7270/Q24T6HK7
					More data for this Ligand-Target Pair