BDBM50066407 (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(4,5-dimethyl-oxazol-2-yl)-ethyl]-pyrrolidine-3-carboxylic acid::CHEMBL114074

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCc1nc(C)c(C)o1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=BOGIUGRMOYWECN-AWVRMFGXSA-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 = 50066407   

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))	BDBM50066407 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCc1nc(C)c(C)o1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H41N3O6/c1-5-7-13-31(14-8-6-2)27(33)17-32-16-22(21-9-11-24-25(15-21)37-18-36-24)28(29(34)35)23(32)10-12-26-30-19(3)20(4)38-26/h9,11,15,22-23,28H,5-8,10,12-14,16-18H2,1-4H3,(H,34,35)/t22-,23+,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for endothelin B receptor by measuring its ability to displace [125I]-ET-3 from porcine cerebellar tissue				J Med Chem 41: 3261-75 (1998) Article DOI: 10.1021/jm980217s BindingDB Entry DOI: 10.7270/Q20Z72D4
					More data for this Ligand-Target Pair
EDNRA (RAT)	BDBM50066407 ((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCc1nc(C)c(C)o1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H41N3O6/c1-5-7-13-31(14-8-6-2)27(33)17-32-16-22(21-9-11-24-25(15-21)37-18-36-24)28(29(34)35)23(32)10-12-26-30-19(3)20(4)38-26/h9,11,15,22-23,28H,5-8,10,12-14,16-18H2,1-4H3,(H,34,35)/t22-,23+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for endothelin A receptor by measuring its ability to displace [125I]-ET-1 from prolactin secreting rat pituitary cells(MMQ)				J Med Chem 41: 3261-75 (1998) Article DOI: 10.1021/jm980217s BindingDB Entry DOI: 10.7270/Q20Z72D4
					More data for this Ligand-Target Pair