BDBM50285133 Ac-dBHG-Arg-Asp-Ile-Ile-Trp-OH::CHEMBL411965

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

InChI Key: InChIKey=SCWAYFHXVIGQKN-DXCYWJGUSA-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 = 50285133   

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)	BDBM50285133 (Ac-dBHG-Arg-Asp-Ile-Ile-Trp-OH | CHEMBL411965) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C52H68N10O10/c1-6-28(3)43(48(68)60-40(51(71)72)25-33-27-56-37-20-13-12-17-34(33)37)62-49(69)44(29(4)7-2)61-47(67)39(26-41(64)65)59-46(66)38(21-14-24-55-52(53)54)58-50(70)45(57-30(5)63)42-35-18-10-8-15-31(35)22-23-32-16-9-11-19-36(32)42/h8-13,15-20,27-29,38-40,42-45,56H,6-7,14,21-26H2,1-5H3,(H,57,63)(H,58,70)(H,59,66)(H,60,68)(H,61,67)(H,62,69)(H,64,65)(H,71,72)(H4,53,54,55)/t28-,29-,38-,39-,40-,43-,44-,45+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	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