BDBM50050999 (2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(diisobutylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL266354

SMILES: COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(CC(C)C)CC(C)C)c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=VTCRAOPUDXFWQI-MXSCXNJPSA-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 = 50050999   

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)	BDBM50050999 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(diisobutylc...) Show SMILES COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(CC(C)C)CC(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H38N2O6/c1-18(2)13-30(14-19(3)4)26(32)16-31-15-23(21-8-11-24-25(12-21)37-17-36-24)27(29(33)34)28(31)20-6-9-22(35-5)10-7-20/h6-12,18-19,23,27-28H,13-17H2,1-5H3,(H,33,34)/t23-,27-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against the Endothelin A receptor of rat MMQ cells				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair
Endothelin receptor ET-B (Sus scrofa)	BDBM50050999 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(diisobutylc...) Show SMILES COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(CC(C)C)CC(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C29H38N2O6/c1-18(2)13-30(14-19(3)4)26(32)16-31-15-23(21-8-11-24-25(12-21)37-17-36-24)27(29(33)34)28(31)20-6-9-22(35-5)10-7-20/h6-12,18-19,23,27-28H,13-17H2,1-5H3,(H,33,34)/t23-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellum				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
					More data for this Ligand-Target Pair