BDBM50106406 4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(3,4-difluoro-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL340190

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(F)c(F)c1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=HZYXDFYJDODHTN-UIFDUCBYSA-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 = 50106406   

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)	BDBM50106406 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(F)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H34F2N2O5/c1-3-5-11-31(12-6-4-2)25(33)16-32-15-20(18-8-10-23-24(14-18)37-17-36-23)26(28(34)35)27(32)19-7-9-21(29)22(30)13-19/h7-10,13-14,20,26-27H,3-6,11-12,15-17H2,1-2H3,(H,34,35)/t20-,26-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38	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))	BDBM50106406 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(F)c(F)c1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H34F2N2O5/c1-3-5-11-31(12-6-4-2)25(33)16-32-15-20(18-8-10-23-24(14-18)37-17-36-23)26(28(34)35)27(32)19-7-9-21(29)22(30)13-19/h7-10,13-14,20,26-27H,3-6,11-12,15-17H2,1-2H3,(H,34,35)/t20-,26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+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