BDBM50056070 (2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(3,4-difluoro-phenyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid::CHEMBL113400

SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=UQKPGHBTDBFHSZ-XCRWMPKNSA-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 = 50056070   

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)	BDBM50056070 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(3,4-difluor...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C28H36F2N2O4/c1-4-6-14-31(15-7-5-2)25(33)18-32-17-22(20-10-13-23(29)24(30)16-20)26(28(34)35)27(32)19-8-11-21(36-3)12-9-19/h8-13,16,22,26-27H,4-7,14-15,17-18H2,1-3H3,(H,34,35)/t22-,26-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair
Endothelin receptor ET-B (Sus scrofa)	BDBM50056070 ((2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(3,4-difluor...) Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C28H36F2N2O4/c1-4-6-14-31(15-7-5-2)25(33)18-32-17-22(20-10-13-23(29)24(30)16-20)26(28(34)35)27(32)19-8-11-21(36-3)12-9-19/h8-13,16,22,26-27H,4-7,14-15,17-18H2,1-3H3,(H,34,35)/t22-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin B receptor in porcine cerebellar tissue using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
					More data for this Ligand-Target Pair