BDBM50407570 CHEMBL2370825

SMILES: [H][C@]12C[C@@H](O)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC2=O)C(C)C

InChI Key: InChIKey=RRQLCIWLLWSYAL-QNRYKDJOSA-N

Data: 1 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 1 hit for monomerid = 50407570   

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
Endothelin receptor ET-A (Sus scrofa)	BDBM50407570 (CHEMBL2370825) Show SMILES [H][C@]12C[C@@H](O)CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC2=O)C(C)C Show InChI InChI=1S/C31H42N6O8/c1-15(2)9-21-27(41)33-22(10-17-13-32-20-8-6-5-7-19(17)20)28(42)35-23(12-25(39)40)31(45)37-14-18(38)11-24(37)29(43)36-26(16(3)4)30(44)34-21/h5-8,13,15-16,18,21-24,26,32,38H,9-12,14H2,1-4H3,(H,33,41)(H,34,44)(H,35,42)(H,36,43)(H,39,40)/t18-,21-,22+,23+,24-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.				J Med Chem 38: 4309-24 (1995) BindingDB Entry DOI: 10.7270/Q2D50M0H
					More data for this Ligand-Target Pair