BDBM50285141 Ac-dBHG-Tyr-Asp-Ile-Ile-Trp-OH::CHEMBL405916

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=GOMJXJNWVQKFIZ-JAMJHWDISA-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 = 50285141   

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)	BDBM50285141 (Ac-dBHG-Tyr-Asp-Ile-Ile-Trp-OH | CHEMBL405916) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C55H65N7O11/c1-6-30(3)47(52(69)60-44(55(72)73)27-36-29-56-41-19-13-12-16-38(36)41)62-53(70)48(31(4)7-2)61-51(68)43(28-45(65)66)58-50(67)42(26-33-20-24-37(64)25-21-33)59-54(71)49(57-32(5)63)46-39-17-10-8-14-34(39)22-23-35-15-9-11-18-40(35)46/h8-21,24-25,29-31,42-44,46-49,56,64H,6-7,22-23,26-28H2,1-5H3,(H,57,63)(H,58,67)(H,59,71)(H,60,69)(H,61,68)(H,62,70)(H,65,66)(H,72,73)/t30-,31-,42-,43-,44-,47-,48-,49+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity against ET-A from porcine heart membranes				Bioorg Med Chem Lett 5: 2041-2044 (1995) Article DOI: 10.1016/0960-894X(95)00349-X BindingDB Entry DOI: 10.7270/Q26D5TF8
					More data for this Ligand-Target Pair