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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)CCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCCc1scnc1C

InChI Key: InChIKey=YADICXSVCIPJKS-GWNNYCCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368888   
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)		BDBM50368888
PNG
(CHEMBL1790793)
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)CCCC[C@@H]1SCC2NC(=O)NC12)C(=O)NCCc1scnc1C
Show InChI InChI=1S/C37H62N6O6S2/c1-6-22(4)31(36(48)38-17-16-27-23(5)39-20-51-27)42-35(47)30(21(2)3)34(46)33(45)25(18-24-12-8-7-9-13-24)40-29(44)15-11-10-14-28-32-26(19-50-28)41-37(49)43-32/h20-22,24-26,28,30-34,45-46H,6-19H2,1-5H3,(H,38,48)(H,40,44)(H,42,47)(H2,41,43,49)/t22-,25+,26?,28+,30-,31+,32?,33-,34-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 130n/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