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31 molecules are shown

Wt: 658.8
BDBM35964
Wt: 660.8
BDBM35965
Wt: 644.7
BDBM35966
Wt: 646.7
BDBM35967
Wt: 630.7
BDBM35968
Wt: 632.7
BDBM35969
Wt: 616.7
BDBM35970
Wt: 604.7
BDBM35973
Wt: 590.6
BDBM35975
Wt: 576.6
BDBM35977
Wt: 658.8
BDBM35978
Wt: 644.7
BDBM35980
Wt: 644.7
BDBM35981
Wt: 630.7
BDBM35982
Wt: 618.7
BDBM35984
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 35964,35965,35966,35967,35968,35969,35970,35973,35975,35977,35978,35980,35981,35982,35984   
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)
BDBM35968
PNG
(cyclic compound, 14c | cyclic compound, 14c-Z)
Show SMILES COc1ccc2c(OCC\C=C/CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C32H42N2O9S/c1-39-24-13-14-30-28(20-24)40-17-10-5-3-2-4-9-16-34(44(30,37)38)21-27(35)26(19-23-11-7-6-8-12-23)33-32(36)43-29-22-42-31-25(29)15-18-41-31/h3,5-8,11-14,20,25-27,29,31,35H,2,4,9-10,15-19,21-22H2,1H3,(H,33,36)/b5-3-/t25-,26-,27+,29-,31+/m0/s1
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0.0120 -14.9n/an/a 4.60n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35984
PNG
(cyclic compound, 15d)
Show SMILES COc1ccc2c(OCCCCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C31H42N2O9S/c1-38-23-12-13-29-27(19-23)39-16-9-4-2-3-8-15-33(43(29,36)37)20-26(34)25(18-22-10-6-5-7-11-22)32-31(35)42-28-21-41-30-24(28)14-17-40-30/h5-7,10-13,19,24-26,28,30,34H,2-4,8-9,14-18,20-21H2,1H3,(H,32,35)/t24-,25-,26+,28-,30+/m0/s1
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0.0170n/an/an/a 14n/an/an/an/a



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35968
PNG
(cyclic compound, 14c | cyclic compound, 14c-Z)
Show SMILES COc1ccc2c(OCC\C=C/CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C32H42N2O9S/c1-39-24-13-14-30-28(20-24)40-17-10-5-3-2-4-9-16-34(44(30,37)38)21-27(35)26(19-23-11-7-6-8-12-23)33-32(36)43-29-22-42-31-25(29)15-18-41-31/h3,5-8,11-14,20,25-27,29,31,35H,2,4,9-10,15-19,21-22H2,1H3,(H,33,36)/b5-3-/t25-,26-,27+,29-,31+/m0/s1
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0.0450 -14.1n/an/a 2n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35970
PNG
(cyclic compound, 14d)
Show SMILES COc1ccc2c(OC\C=C/CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C31H40N2O9S/c1-38-23-12-13-29-27(19-23)39-16-9-4-2-3-8-15-33(43(29,36)37)20-26(34)25(18-22-10-6-5-7-11-22)32-31(35)42-28-21-41-30-24(28)14-17-40-30/h4-7,9-13,19,24-26,28,30,34H,2-3,8,14-18,20-21H2,1H3,(H,32,35)/b9-4-/t24-,25-,26+,28-,30+/m0/s1
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0.0580 -14.0n/an/a 14n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35982
PNG
(cyclic compound, 14c-E)
Show SMILES COc1ccc2c(OCC\C=C\CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C32H42N2O9S/c1-39-24-13-14-30-28(20-24)40-17-10-5-3-2-4-9-16-34(44(30,37)38)21-27(35)26(19-23-11-7-6-8-12-23)33-32(36)43-29-22-42-31-25(29)15-18-41-31/h3,5-8,11-14,20,25-27,29,31,35H,2,4,9-10,15-19,21-22H2,1H3,(H,33,36)/b5-3+/t25-,26-,27+,29-,31+/m0/s1
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0.0600 -13.9n/an/a 7n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35966
PNG
(E/Z ratio 1:4 | cyclic compound, 14b)
Show SMILES COc1ccc2c(OCCCC\C=C/CCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C33H44N2O9S/c1-40-25-14-15-31-29(21-25)41-18-11-6-4-2-3-5-10-17-35(45(31,38)39)22-28(36)27(20-24-12-8-7-9-13-24)34-33(37)44-30-23-43-32-26(30)16-19-42-32/h2-3,7-9,12-15,21,26-28,30,32,36H,4-6,10-11,16-20,22-23H2,1H3,(H,34,37)/b3-2-/t26-,27-,28+,30-,32+/m0/s1
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0.0820 -13.8n/an/a 4n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35975
PNG
(cyclic compound, 15g)
Show SMILES COc1ccc2c(OCCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C29H38N2O9S/c1-36-21-10-11-27-25(17-21)37-14-7-3-6-13-31(41(27,34)35)18-24(32)23(16-20-8-4-2-5-9-20)30-29(33)40-26-19-39-28-22(26)12-15-38-28/h2,4-5,8-11,17,22-24,26,28,32H,3,6-7,12-16,18-19H2,1H3,(H,30,33)/t22-,23-,24+,26-,28+/m0/s1
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0.0900 -13.7n/an/a 5.5n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35973
PNG
(cyclic compound, 15f)
Show SMILES COc1ccc2c(OCCCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C30H40N2O9S/c1-37-22-11-12-28-26(18-22)38-15-8-3-2-7-14-32(42(28,35)36)19-25(33)24(17-21-9-5-4-6-10-21)31-30(34)41-27-20-40-29-23(27)13-16-39-29/h4-6,9-12,18,23-25,27,29,33H,2-3,7-8,13-17,19-20H2,1H3,(H,31,34)/t23-,24-,25+,27-,29+/m0/s1
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0.150 -13.4n/an/a 95n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35964
PNG
(E/Z ratio 3:1 | cyclic compound, 14a | cyclic comp...)
Show SMILES COc1ccc2c(OCCCC\C=C/CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C34H46N2O9S/c1-41-26-15-16-32-30(22-26)42-19-12-7-5-3-2-4-6-11-18-36(46(32,39)40)23-29(37)28(21-25-13-9-8-10-14-25)35-34(38)45-31-24-44-33-27(31)17-20-43-33/h2-3,8-10,13-16,22,27-29,31,33,37H,4-7,11-12,17-21,23-24H2,1H3,(H,35,38)/b3-2-/t27-,28-,29+,31-,33+/m0/s1
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0.160 -13.4n/an/a>1.00E+3n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35980
PNG
(cyclic compound, 14b-E)
Show SMILES COc1ccc2c(OCCC\C=C\CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C33H44N2O9S/c1-40-25-14-15-31-29(21-25)41-18-11-6-4-2-3-5-10-17-35(45(31,38)39)22-28(36)27(20-24-12-8-7-9-13-24)34-33(37)44-30-23-43-32-26(30)16-19-42-32/h2,4,7-9,12-15,21,26-28,30,32,36H,3,5-6,10-11,16-20,22-23H2,1H3,(H,34,37)/b4-2+/t26-,27-,28+,30-,32+/m0/s1
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0.180 -13.3n/an/a 6.60n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35978
PNG
(cyclic compound, 14a-E)
Show SMILES COc1ccc2c(OCCCC\C=C\CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C34H46N2O9S/c1-41-26-15-16-32-30(22-26)42-19-12-7-5-3-2-4-6-11-18-36(46(32,39)40)23-29(37)28(21-25-13-9-8-10-14-25)35-34(38)45-31-24-44-33-27(31)17-20-43-33/h2-3,8-10,13-16,22,27-29,31,33,37H,4-7,11-12,17-21,23-24H2,1H3,(H,35,38)/b3-2+/t27-,28-,29+,31-,33+/m0/s1
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0.240 -13.1n/an/a 360n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35964
PNG
(E/Z ratio 3:1 | cyclic compound, 14a | cyclic comp...)
Show SMILES COc1ccc2c(OCCCC\C=C/CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C34H46N2O9S/c1-41-26-15-16-32-30(22-26)42-19-12-7-5-3-2-4-6-11-18-36(46(32,39)40)23-29(37)28(21-25-13-9-8-10-14-25)35-34(38)45-31-24-44-33-27(31)17-20-43-33/h2-3,8-10,13-16,22,27-29,31,33,37H,4-7,11-12,17-21,23-24H2,1H3,(H,35,38)/b3-2-/t27-,28-,29+,31-,33+/m0/s1
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0.380 -12.8n/an/a 120n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35969
PNG
(cyclic compound, 15c)
Show SMILES COc1ccc2c(OCCCCCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C32H44N2O9S/c1-39-24-13-14-30-28(20-24)40-17-10-5-3-2-4-9-16-34(44(30,37)38)21-27(35)26(19-23-11-7-6-8-12-23)33-32(36)43-29-22-42-31-25(29)15-18-41-31/h6-8,11-14,20,25-27,29,31,35H,2-5,9-10,15-19,21-22H2,1H3,(H,33,36)/t25-,26-,27+,29-,31+/m0/s1
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0.470 -12.7n/an/a 22n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35967
PNG
(cyclic compound, 15b)
Show SMILES COc1ccc2c(OCCCCCCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C33H46N2O9S/c1-40-25-14-15-31-29(21-25)41-18-11-6-4-2-3-5-10-17-35(45(31,38)39)22-28(36)27(20-24-12-8-7-9-13-24)34-33(37)44-30-23-43-32-26(30)16-19-42-32/h7-9,12-15,21,26-28,30,32,36H,2-6,10-11,16-20,22-23H2,1H3,(H,34,37)/t26-,27-,28+,30-,32+/m0/s1
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0.670 -12.5n/an/a 49n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35965
PNG
(cyclic compound, 15a)
Show SMILES COc1ccc2c(OCCCCCCCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C34H48N2O9S/c1-41-26-15-16-32-30(22-26)42-19-12-7-5-3-2-4-6-11-18-36(46(32,39)40)23-29(37)28(21-25-13-9-8-10-14-25)35-34(38)45-31-24-44-33-27(31)17-20-43-33/h8-10,13-16,22,27-29,31,33,37H,2-7,11-12,17-21,23-24H2,1H3,(H,35,38)/t27-,28-,29+,31-,33+/m0/s1
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0.820 -12.4n/an/a 318n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35981
PNG
(cyclic compound, 14b-Z)
Show SMILES COc1ccc2c(OCCC\C=C/CCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C33H44N2O9S/c1-40-25-14-15-31-29(21-25)41-18-11-6-4-2-3-5-10-17-35(45(31,38)39)22-28(36)27(20-24-12-8-7-9-13-24)34-33(37)44-30-23-43-32-26(30)16-19-42-32/h2,4,7-9,12-15,21,26-28,30,32,36H,3,5-6,10-11,16-20,22-23H2,1H3,(H,34,37)/b4-2-/t26-,27-,28+,30-,32+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900 -12.3n/an/a 2.90n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM35977
PNG
(cyclic compound, 15h)
Show SMILES COc1ccc2c(OCCCCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S2(=O)=O)c1
Show InChI InChI=1S/C28H36N2O9S/c1-35-20-9-10-26-24(16-20)36-13-6-5-12-30(40(26,33)34)17-23(31)22(15-19-7-3-2-4-8-19)29-28(32)39-25-18-38-27-21(25)11-14-37-27/h2-4,7-10,16,21-23,25,27,31H,5-6,11-15,17-18H2,1H3,(H,29,32)/t21-,22-,23+,25-,27+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.27 -12.1n/an/a 77n/an/a6.425



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...


J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair