BDBM50407600 CHEMBL343062

SMILES: CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CSCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C

InChI Key: InChIKey=HCGFJTFHFRFAHG-JAWPICGBSA-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 = 50407600   

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-1 receptor (Sus scrofa)	BDBM50407600 (CHEMBL343062) Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CSCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C30H40N6O7S/c1-15(2)9-20-26(39)32-21(10-17-12-31-19-8-6-5-7-18(17)19)27(40)34-22(11-24(37)38)30(43)36-14-44-13-23(36)28(41)35-25(16(3)4)29(42)33-20/h5-8,12,15-16,20-23,25,31H,9-11,13-14H2,1-4H3,(H,32,39)(H,33,42)(H,34,40)(H,35,41)(H,37,38)/t20-,21+,22+,23-,25+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	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