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BDBM50407671 CHEMBL359033

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=XQJQZPAFVNTCBI-ILMLRKPHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407671   
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)
BDBM50407671
PNG
(CHEMBL359033)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C45H58N6O9S/c1-29(2)38(42(53)47-25-24-31-18-22-36(23-19-31)61(46,57)58)50-44(55)40(48-27-33-16-20-35(59-5)21-17-33)41(52)37(26-32-12-8-6-9-13-32)49-43(54)39(30(3)4)51-45(56)60-28-34-14-10-7-11-15-34/h6-23,29-30,37-41,48,52H,24-28H2,1-5H3,(H,47,53)(H,49,54)(H,50,55)(H,51,56)(H2,46,57,58)/t37-,38-,39-,40+,41+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14.1n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair