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SMILES: OCc1cccc(CN2[C@H](CCc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1

InChI Key: InChIKey=BDLUEJUQSRGZLT-WDKGQIBQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408711   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50408711
PNG
(CHEMBL277389)
Show SMILES OCc1cccc(CN2[C@H](CCc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1
Show InChI InChI=1S/C36H40N2O5/c39-24-30-15-7-13-28(19-30)22-37-32(18-17-26-9-3-1-4-10-26)34(41)35(42)33(21-27-11-5-2-6-12-27)38(36(37)43)23-29-14-8-16-31(20-29)25-40/h1-16,19-20,32-35,39-42H,17-18,21-25H2/t32-,33-,34+,35+/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
 0.140n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company



Assay Description
Inhibition constant of HIV protease inhibitors

J Med Chem 42: 135-52 (1999)


Article DOI: 10.1021/jm9803626
BindingDB Entry DOI: 10.7270/Q28050S9
More data for this
Ligand-Target Pair