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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50480936'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50480936
PNG
(CHEMBL574733)
Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1ccc(NC(C)=O)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C43H51N5O7/c1-28(49)44-34-21-19-32(20-22-34)31-17-15-30(16-18-31)27-48(47-39(51)38(42(2,3)4)46-41(53)55-5)24-23-43(54,26-29-11-7-6-8-12-29)40(52)45-37-35-14-10-9-13-33(35)25-36(37)50/h6-22,36-38,50,54H,23-27H2,1-5H3,(H,44,49)(H,45,52)(H,46,53)(H,47,51)/t36-,37+,38-,43-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay

J Med Chem 53: 607-15 (2010)


Article DOI: 10.1021/jm901165g
BindingDB Entry DOI: 10.7270/Q29Z97R7
More data for this
Ligand-Target Pair