BDBM50045248 (S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-4-methyl-pentanoylamino]-N-{(S)-1-[(S)-(S)-1-((S)-1-carboxy-2-(S)-1H-indol-3-yl-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butyl}-succinamic acid::Ac-Phe-Leu-Asp-Ile-Ile-Trp::CHEMBL273391

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=DHRNHNAPGPSYGB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50045248   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin receptor type B (Rat)	BDBM50045248 ((S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Human)	BDBM50045248 ((S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Human)	BDBM50045248 ((S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endothelin receptor type B (Rat)	BDBM50045248 ((S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair