BDBM50066401 (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-((E)-3-methyl-pent-3-enyl)-pyrrolidine-3-carboxylic acid::CHEMBL110904

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC\C(C)=C\C)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=BCPQVTLHLOKUSN-ZFCIAJOFSA-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 = 50066401   

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)	BDBM50066401 ((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]1CC\C(C)=C\C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H42N2O5/c1-5-8-14-29(15-9-6-2)26(31)18-30-17-22(21-11-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)12-10-20(4)7-3/h7,11,13,16,22-23,27H,5-6,8-10,12,14-15,17-19H2,1-4H3,(H,32,33)/b20-7+/t22-,23+,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	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
EDNRB (Homo sapiens (Human))	BDBM50066401 ((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]1CC\C(C)=C\C)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H42N2O5/c1-5-8-14-29(15-9-6-2)26(31)18-30-17-22(21-11-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)12-10-20(4)7-3/h7,11,13,16,22-23,27H,5-6,8-10,12,14-15,17-19H2,1-4H3,(H,32,33)/b20-7+/t22-,23+,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+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