BDBM50106402 4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-ethyl-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL340575

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCOc2c1

InChI Key: InChIKey=KDKGYZPRCNXIRY-USOMCTOXSA-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 = 50106402   

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)	BDBM50106402 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-7-15-31(16-8-5-2)27(33)19-32-18-24(23-13-14-25-26(17-23)37-20-36-25)28(30(34)35)29(32)22-11-9-21(6-3)10-12-22/h9-14,17,24,28-29H,4-8,15-16,18-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	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))	BDBM50106402 (4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CC)cc1)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H40N2O5/c1-4-7-15-31(16-8-5-2)27(33)19-32-18-24(23-13-14-25-26(17-23)37-20-36-25)28(30(34)35)29(32)22-11-9-21(6-3)10-12-22/h9-14,17,24,28-29H,4-8,15-16,18-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+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