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BDBM50370650 CHEMBL1791331

SMILES: CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O

InChI Key: InChIKey=FOMKYBOVQHZDRZ-HSXKJBDKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370650   
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)
BDBM50370650
PNG
(CHEMBL1791331)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC(CO)C(N)=O
Show InChI InChI=1S/C44H74N6O10/c1-7-30(4)38(42(57)47-34(28-51)40(45)55)49-43(58)39(31(5)52)50(6)36(54)26-22-17-15-13-11-9-8-10-12-14-16-21-25-35(53)48-37(29(2)3)41(56)46-33(44(59)60)27-32-23-19-18-20-24-32/h18-20,23-24,29-31,33-34,37-39,51-52H,7-17,21-22,25-28H2,1-6H3,(H2,45,55)(H,46,56)(H,47,57)(H,48,53)(H,49,58)(H,59,60)/t30-,31-,33-,34?,37+,38+,39-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
202n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus -1 protease


J Med Chem 48: 2239-42 (2005)


Article DOI: 10.1021/jm049581j
BindingDB Entry DOI: 10.7270/Q2H70GK3
More data for this
Ligand-Target Pair