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SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=XSSRRJFIYUJCHQ-QVBUFPIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282097   
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)
BDBM50282097
PNG
((3S,4aS,8aS)-2-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C37H60N6O4/c1-8-24(4)33(36(47)38-20-32-39-29-15-11-12-16-30(29)40-32)41-34(45)27(17-23(2)3)18-28(44)22-43-21-26-14-10-9-13-25(26)19-31(43)35(46)42-37(5,6)7/h11-12,15-16,23-28,31,33,44H,8-10,13-14,17-22H2,1-7H3,(H,38,47)(H,39,40)(H,41,45)(H,42,46)/t24-,25-,26+,27+,28?,31-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for inhibitory activity against HIV-1 Protease


Bioorg Med Chem Lett 3: 1595-1600 (1993)


Article DOI: 10.1016/S0960-894X(00)80024-4
BindingDB Entry DOI: 10.7270/Q2154GZH
More data for this
Ligand-Target Pair