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There are 7 purchasable compounds for target: HIV-1 Protease, recombinant, isolate HXB2

Wt: 475.3
BDBM21
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Wt: 380.4
BDBM9848
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Wt: 400.4
BDBM9849
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Wt: 468.5
BDBM9850
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Wt: 502.5
BDBM9851
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Wt: 550.6
BDBM9853
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 21,9848,9849,9850,9851,9853   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
PDB
MMDB

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CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.240 -13.6n/an/an/an/an/a5.537



DuPont Merck Pharmaceutical Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9853
PNG
((2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C28H30N4O6S/c1-18-12-14-19(15-13-18)39(36,37)32-27(29)30-16-6-11-25(26(33)34)31-28(35)38-17-24-22-9-4-2-7-20(22)21-8-3-5-10-23(21)24/h2-5,7-10,12-15,24-25H,6,11,16-17H2,1H3,(H,31,35)(H,33,34)(H3,29,30,32)/t25-/m0/s1
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PC cid
PC sid
UniChem

Patents

Article
PubMed
1.42E+4 -6.72n/an/an/an/an/a4.730



Pharmacor Inc



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...


Bioorg Med Chem Lett 15: 1509-13 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.068
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9851
PNG
((2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(9H-fluore...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C29H30N2O6/c32-27(33)26(16-8-9-17-30-28(34)36-18-20-10-2-1-3-11-20)31-29(35)37-19-25-23-14-6-4-12-21(23)22-13-5-7-15-24(22)25/h1-7,10-15,25-26H,8-9,16-19H2,(H,30,34)(H,31,35)(H,32,33)/t26-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
2.15E+4 -6.47n/an/an/an/an/a4.730



Pharmacor Inc



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...


Bioorg Med Chem Lett 15: 1509-13 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.068
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9850
PNG
((2S)-6-{[(tert-butoxy)carbonyl]amino}-2-{[(9H-fluo...)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1
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PC cid
PC sid
UniChem

Patents

Article
PubMed
2.80E+4 -6.31n/an/an/an/an/a4.730



Pharmacor Inc



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...


Bioorg Med Chem Lett 15: 1509-13 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.068
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9848
PNG
((2S)-2-{[(benzyloxy)carbonyl]amino}-6-{[(tert-buto...)
Show SMILES CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+5>-5.54n/an/an/an/an/a4.730



Pharmacor Inc



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...


Bioorg Med Chem Lett 15: 1509-13 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.068
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9849
PNG
((2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(4-methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C18H28N2O6S/c1-13-8-10-14(11-9-13)27(24,25)20-15(16(21)22)7-5-6-12-19-17(23)26-18(2,3)4/h8-11,15,20H,5-7,12H2,1-4H3,(H,19,23)(H,21,22)/t15-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5>-5.54n/an/an/an/an/a4.730



Pharmacor Inc



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...


Bioorg Med Chem Lett 15: 1509-13 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.068
More data for this
Ligand-Target Pair