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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)NCCc1scnc1C

InChI Key: InChIKey=IOPVPTNSMVSHSU-OFTDPSHOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368890   
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)		BDBM50368890
PNG
(CHEMBL1790792)
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)NCCc1scnc1C
Show InChI InChI=1S/C44H68N6O6S3/c1-6-27(4)37(43(55)45-21-20-33-28(5)46-25-59-33)49-42(54)36(26(2)3)40(52)39(51)31(23-29-15-9-7-10-16-29)47-41(53)30-17-12-13-18-34(30)57-22-14-8-11-19-35-38-32(24-58-35)48-44(56)50-38/h12-13,17-18,25-27,29,31-32,35-40,51-52H,6-11,14-16,19-24H2,1-5H3,(H,45,55)(H,47,53)(H,49,54)(H2,48,50,56)/t27-,31+,32?,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
 4n/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