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65 molecules are shown

Compile data set for download or QSAR
Wt: 649.8
BDBM50407017
Wt: 597.7
BDBM50407021
Wt: 609.7
BDBM50407173
Wt: 594.7
BDBM50403364
Wt: 594.7
BDBM50403365
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50407017,50407021,50407173,50403364,50403365   
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)
BDBM50403365
PNG
(CHEMBL2114261)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCC[C@H]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H46N4O6/c1-33(2,3)37-30(40)25-17-11-10-16-24(25)19-28(38)26(18-22-12-6-4-7-13-22)35-31(41)27(20-29(34)39)36-32(42)43-21-23-14-8-5-9-15-23/h4-9,12-15,24-28,38H,10-11,16-21H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,40)/t24-,25+,26-,27-,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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Article
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease was determined


Bioorg Med Chem Lett 4: 2759-2762 (1994)


Article DOI: 10.1016/S0960-894X(01)80590-4
BindingDB Entry DOI: 10.7270/Q2930T3Q
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50403364
PNG
(CHEMBL2115250)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H46N4O6/c1-33(2,3)37-30(40)25-17-11-10-16-24(25)19-28(38)26(18-22-12-6-4-7-13-22)35-31(41)27(20-29(34)39)36-32(42)43-21-23-14-8-5-9-15-23/h4-9,12-15,24-28,38H,10-11,16-21H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,40)/t24-,25-,26+,27+,28-/m1/s1
PDB
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UniProtKB/TrEMBL

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CHEMBL
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PC sid
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Article
n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease was determined


Bioorg Med Chem Lett 4: 2759-2762 (1994)


Article DOI: 10.1016/S0960-894X(01)80590-4
BindingDB Entry DOI: 10.7270/Q2930T3Q
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407173
PNG
(CHEMBL70394)
Show SMILES CC(C)(C)NC(=O)N(CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C33H47N5O6/c1-33(2,3)37-31(42)38(25-17-11-6-12-18-25)21-28(39)26(19-23-13-7-4-8-14-23)35-30(41)27(20-29(34)40)36-32(43)44-22-24-15-9-5-10-16-24/h4-5,7-10,13-16,25-28,39H,6,11-12,17-22H2,1-3H3,(H2,34,40)(H,35,41)(H,36,43)(H,37,42)/t26-,27-,28?/m0/s1
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Article
PubMed
n/an/a 29.0n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease


J Med Chem 37: 2206-15 (1994)


Article DOI: 10.1021/jm00040a013
BindingDB Entry DOI: 10.7270/Q29C6ZNK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407021
PNG
(CHEMBL335379)
Show SMILES CC(C)CCNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H47N5O6/c1-22(2)16-17-34-30(41)37(32(3,4)5)20-27(38)25(18-23-12-8-6-9-13-23)35-29(40)26(19-28(33)39)36-31(42)43-21-24-14-10-7-11-15-24/h6-15,22,25-27,38H,16-21H2,1-5H3,(H2,33,39)(H,34,41)(H,35,40)(H,36,42)/t25-,26-,27+/m0/s1
PDB
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50407017
PNG
(CHEMBL337053)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H51N5O6/c1-36(2,3)40-34(45)30-19-26-16-10-11-17-27(26)21-41(30)22-31(42)28(18-24-12-6-4-7-13-24)38-33(44)29(20-32(37)43)39-35(46)47-23-25-14-8-5-9-15-25/h4-9,12-15,26-31,42H,10-11,16-23H2,1-3H3,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)/t26-,27+,28-,29-,30-,31-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory potency against HIV-1 protease


J Med Chem 36: 4152-60 (1994)


Article DOI: 10.1021/jm00078a003
BindingDB Entry DOI: 10.7270/Q2PK0HCT
More data for this
Ligand-Target Pair