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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50200950   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50200950
PNG
((R)-tetrahydrofuran-3-yl (2S,3S)-3-(4-((4-(5-chlor...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)CC1 |r|
Show InChI InChI=1S/C35H41ClN6O3/c1-26-12-13-29(36)22-33(26)41-17-15-40(16-18-41)23-30-24-42(39-38-30)34(21-28-10-6-3-7-11-28)32(20-27-8-4-2-5-9-27)37-35(43)45-31-14-19-44-25-31/h2-13,22,24,31-32,34H,14-21,23,25H2,1H3,(H,37,43)/t31-,32+,34+/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
 83n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease

J Med Chem 49: 7697-710 (2006)


Article DOI: 10.1021/jm060754+
BindingDB Entry DOI: 10.7270/Q2TH8MB6
More data for this
Ligand-Target Pair