BDBM59214 Pepstatin analog, 2

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=JIDCQMLFDUZVGM-VEYYFZJESA-N

Data: 1 KI  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 = 59214   

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
Human herpesvirus 1 protease (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM59214 (Pepstatin analog, 2) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H73N7O10/c1-32(2)28-37(45(61)52-36(44(50)60)29-34-22-16-14-17-23-34)53-47(63)43(33(3)56)55-42(59)27-21-13-11-9-7-5-4-6-8-10-12-20-26-41(58)51-38(31-40(49)57)46(62)54-39(48(64)65)30-35-24-18-15-19-25-35/h14-19,22-25,32-33,36-39,43,56H,4-13,20-21,26-31H2,1-3H3,(H2,49,57)(H2,50,60)(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)(H,64,65)/t33?,36-,37-,38+,39+,43-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	5.90E+3	n/a	n/a	n/a	n/a	5.52	n/a
Purdue University					Assay Description The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...				Chem Biol 12: 439-44 (2005) Article DOI: 10.1016/j.chembiol.2005.02.004 BindingDB Entry DOI: 10.7270/Q2JD4V68
					More data for this Ligand-Target Pair