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BDBM50537563 CHEMBL4634405

SMILES: CC(=O)N[C@@H](C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O

InChI Key: InChIKey=ANELJGXPPPDOLX-DZJKQVLUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537563   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)		BDBM50537563
PNG
(CHEMBL4634405)
Show SMILES CC(=O)N[C@@H](C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O |r|
Show InChI InChI=1S/C43H54F2N6O14/c1-23(52)46-36(43(64)65)41(61)48-28(18-20-33(55)56)38(58)51-35(34(25-13-7-3-8-14-25)26-15-9-4-10-16-26)40(60)47-27(17-19-32(53)54)37(57)49-29(21-24-11-5-2-6-12-24)39(59)50-30(42(62)63)22-31(44)45/h3-4,7-10,13-16,24,27-31,34-36H,2,5-6,11-12,17-22H2,1H3,(H,46,52)(H,47,60)(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,53,54)(H,55,56)(H,62,63)(H,64,65)/t27-,28-,29-,30-,35-,36+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor from human A431 cell membranes

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