BDBM50537565 CHEMBL4649647

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)OCc1ccccc1

InChI Key: InChIKey=ROVUFNAGBHFCLI-OIYPJAFISA-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 = 50537565   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50537565 (CHEMBL4649647) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)OCc1ccccc1 |r| Show InChI InChI=1S/C39H54N6O13/c1-21(2)29(36(53)45-19-25(58-20-23-10-6-4-7-11-23)18-27(45)33(50)44-39(16-17-39)38(56)57)42-34(51)30(24-12-8-5-9-13-24)43-32(49)26(14-15-28(47)48)41-35(52)31(37(54)55)40-22(3)46/h4,6-7,10-11,21,24-27,29-31H,5,8-9,12-20H2,1-3H3,(H,40,46)(H,41,52)(H,42,51)(H,43,49)(H,44,50)(H,47,48)(H,54,55)(H,56,57)/t25-,26+,27+,29+,30+,31-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair