BDBM50106398 1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(4-ethyl-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL129060

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCOc2c1

InChI Key: InChIKey=HGAJVFNBZHLNNH-RKJPZGCHSA-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 = 50106398   

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)	BDBM50106398 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N2O5/c1-4-7-15-32(16-8-5-2)28(34)21-33-20-25(24-13-14-26-27(19-24)38-18-17-37-26)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-14,19,25,29-30H,4-8,15-18,20-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor in MMQ cells in rat				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50106398 (1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C31H42N2O5/c1-4-7-15-32(16-8-5-2)28(34)21-33-20-25(24-13-14-26-27(19-24)38-18-17-37-26)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-14,19,25,29-30H,4-8,15-18,20-21H2,1-3H3,(H,35,36)/t25-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor in porcine cerebellar tissue				J Med Chem 44: 3978-84 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PR2
					More data for this Ligand-Target Pair