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BDBM50011684 CHEMBL19989::CHEMBL3350878::Cbz-Asn-Phe-HEA(S)-Pro-Ile-Phe-OMe

SMILES: CCC(C)C(NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OC

InChI Key: InChIKey=QDSIURMOHBBWLV-YMJGIAHDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011684   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50011684
PNG
(CHEMBL19989 | CHEMBL3350878 | Cbz-Asn-Phe-HEA(S)-P...)
Show SMILES CCC(C)C(NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OC
Show InChI InChI=1S/C43H56N6O9/c1-4-28(2)38(41(54)46-34(42(55)57-3)24-30-17-10-6-11-18-30)48-40(53)35-21-14-22-49(35)26-36(50)32(23-29-15-8-5-9-16-29)45-39(52)33(25-37(44)51)47-43(56)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,50H,4,14,21-27H2,1-3H3,(H2,44,51)(H,45,52)(H,46,54)(H,47,56)(H,48,53)/t28?,32-,33?,34?,35+,36-,38?/m1/s1
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Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
In vitro concentration of the compound required to inhibit 50% activity of HIV protease was measured


J Med Chem 34: 1222-5 (1991)


Article DOI: 10.1021/jm00107a049
BindingDB Entry DOI: 10.7270/Q2057DWM
More data for this
Ligand-Target Pair