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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 972   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM972
PNG
(5PhBuCOOH deriv. | Statine deriv. 35 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H55N5O6/c1-26(2)32(36(47)42-25-30-21-15-10-16-22-30)44-38(49)34(41-24-29-19-13-9-14-20-29)35(46)31(23-28-17-11-8-12-18-28)43-37(48)33(27(3)4)45-39(50)51-40(5,6)7/h8-22,26-27,31-35,41,46H,23-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t31-,32-,33-,34+,35+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
213n/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)


BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM972
PNG
(5PhBuCOOH deriv. | Statine deriv. 35 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C40H55N5O6/c1-26(2)32(36(47)42-25-30-21-15-10-16-22-30)44-38(49)34(41-24-29-19-13-9-14-20-29)35(46)31(23-28-17-11-8-12-18-28)43-37(48)33(27(3)4)45-39(50)51-40(5,6)7/h8-22,26-27,31-35,41,46H,23-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t31-,32-,33-,34+,35+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
215n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair