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BDBM50242213 CHEMBL4063430

SMILES: C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=OKSZFHMXHJBINK-MHKQCRJVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242213   
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
Platelet glycoprotein 4


(Rattus norvegicus)		BDBM50242213
PNG
(CHEMBL4063430)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H53ClN12O6/c1-26(51-41(60)37(20-29-22-49-34-12-6-5-11-32(29)34)53-40(59)33(46)21-31-23-48-25-50-31)39(58)55-56(24-28-14-16-30(44)17-15-28)43(62)54-36(19-27-9-3-2-4-10-27)42(61)52-35(38(47)57)13-7-8-18-45/h2-6,9-12,14-17,22-23,25-26,33,35-37,49H,7-8,13,18-21,24,45-46H2,1H3,(H2,47,57)(H,48,50)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,55,58)/t26-,33-,35-,36+,37+/m0/s1
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Article
PubMed
n/an/a 8.36E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)

J Med Chem 60: 9263-9274 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01209
BindingDB Entry DOI: 10.7270/Q2GF0WWV
More data for this
Ligand-Target Pair