BDBM50407615 CHEMBL343516

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2cn(C=O)c3ccccc23)NC1=O)C(C)C

InChI Key: InChIKey=VPNPHPSUEOSIBN-YYMDCFOUSA-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 = 50407615   

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)	BDBM50407615 (CHEMBL343516) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2cn(C=O)c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C32H42N6O8/c1-17(2)12-21-28(42)33-22(13-19-15-37(16-39)24-9-6-5-8-20(19)24)29(43)35-23(14-26(40)41)32(46)38-11-7-10-25(38)30(44)36-27(18(3)4)31(45)34-21/h5-6,8-9,15-18,21-23,25,27H,7,10-14H2,1-4H3,(H,33,42)(H,34,45)(H,35,43)(H,36,44)(H,40,41)/t21-,22+,23+,25-,27+/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