BDBM50284699 2-{3-(1H-Indol-3-yl)-2-[4-methyl-2-(3-methyl-butyrylamino)-pentanoylamino]-propionylamino}-succinic acid::CHEMBL281963

SMILES: CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=BGAFRSMYVYPPOT-PWRODBHTSA-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 = 50284699   

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)	BDBM50284699 (2-{3-(1H-Indol-3-yl)-2-[4-methyl-2-(3-methyl-butyr...) Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C26H36N4O7/c1-14(2)9-19(28-22(31)10-15(3)4)24(34)29-20(25(35)30-21(26(36)37)12-23(32)33)11-16-13-27-18-8-6-5-7-17(16)18/h5-8,13-15,19-21,27H,9-12H2,1-4H3,(H,28,31)(H,29,34)(H,30,35)(H,32,33)(H,36,37)/t19-,20+,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against ETA receptor in porcine aortic smooth muscle membrane was determined				Bioorg Med Chem Lett 5: 1395-1400 (1995) Article DOI: 10.1016/0960-894X(95)00221-E BindingDB Entry DOI: 10.7270/Q2GB240T
					More data for this Ligand-Target Pair