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SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCc1ccccn1

InChI Key: InChIKey=LPKLLVQXGGDXFZ-CVEGNXOQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368892   
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)		BDBM50368892
PNG
(CHEMBL1790797)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C44H66N6O6S2/c1-5-28(4)37(43(55)46-25-30-18-13-14-22-45-30)49-42(54)36(27(2)3)40(52)39(51)32(24-29-16-8-6-9-17-29)47-41(53)31-19-11-12-20-34(31)57-23-15-7-10-21-35-38-33(26-58-35)48-44(56)50-38/h11-14,18-20,22,27-29,32-33,35-40,51-52H,5-10,15-17,21,23-26H2,1-4H3,(H,46,55)(H,47,53)(H,49,54)(H2,48,50,56)/t28-,32+,33?,35+,36-,37+,38?,39-,40-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars
PubMed
 53n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against biotinylated human HIV-1 protease

J Med Chem 37: 293-304 (1994)


BindingDB Entry DOI: 10.7270/Q27S7PD1
More data for this
Ligand-Target Pair