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BDBM50478109 CHEMBL539678

SMILES: COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C

InChI Key: InChIKey=SBRUQWZYERBBCH-IBHRRMRLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478109   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50478109
PNG
(CHEMBL539678)
Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C
Show InChI InChI=1S/C41H49N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(27-29-18-20-30(21-19-29)33-17-10-11-23-42-33)24-12-22-41(51,26-28-13-6-5-7-14-28)38(49)43-35-32-16-9-8-15-31(32)25-34(35)47/h5-11,13-21,23,34-36,47,51H,12,22,24-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli

J Med Chem 51: 1053-7 (2008)


Article DOI: 10.1021/jm070680h
BindingDB Entry DOI: 10.7270/Q20Z7629
More data for this
Ligand-Target Pair