BDBM50022523 CHEMBL347185::H2N-Phe-Gly-His-Nph-Phe-Ala-Phe-OMe

SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1

InChI Key: InChIKey=AMGPHHBMTKEMRD-IDNKWEKWSA-N

Data: 1 KI

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 = 50022523   

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
Pepsin A (Porcine)	BDBM50022523 (CHEMBL347185 | H2N-Phe-Gly-His-Nph-Phe-Ala-Phe-OMe) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Show InChI InChI=1S/C48H54N10O10/c1-30(43(60)57-41(48(65)68-2)25-33-16-10-5-11-17-33)53-45(62)38(23-32-14-8-4-9-15-32)55-46(63)39(24-34-18-20-36(21-19-34)58(66)67)56-47(64)40(26-35-27-50-29-52-35)54-42(59)28-51-44(61)37(49)22-31-12-6-3-7-13-31/h3-21,27,29-30,37-41H,22-26,28,49H2,1-2H3,(H,50,52)(H,51,61)(H,53,62)(H,54,59)(H,55,63)(H,56,64)(H,57,60)/t30-,37-,38-,39-,40-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of porcine pepsin at pH 4				J Med Chem 31: 625-9 (1988) BindingDB Entry DOI: 10.7270/Q2B85742
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