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There are 20 purchasable compounds for target: Allergen=Car p 1

Wt: 190.1
BDBM152724
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Wt: 314.3
BDBM16510
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Wt: 289.3
BDBM20094
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Wt: 303.3
BDBM20095
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Wt: 302.3
BDBM20126
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Wt: 182.2
BDBM22726
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Wt: 208.2
BDBM22857
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Wt: 158.1
BDBM22851
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Wt: 158.1
BDBM24776
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Wt: 334.4
BDBM53072
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Wt: 294.3
BDBM83922
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Wt: 282.3
BDBM50009219
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Wt: 405.4
BDBM50042386
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Wt: 342.4
BDBM50052693
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Wt: 260.2
BDBM50107000
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Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 152724,16510,20094,20095,20126,22726,22857,22851,24776,53072,83922,50009219,50042386,50052693,50107000   
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
Papain


(Carica papaya)
BDBM20095
PNG
(dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
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260 -8.98n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM16510
PNG
((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...)
Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O
Show InChI InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree C


J Med Chem 39: 3357-66 (1996)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM152724
PNG
(2477)
Show SMILES O=C(NCC#N)OCc1ccccc1
Show InChI InChI=1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13)
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4.50E+4n/a 7.70E+4n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
SpeB was incubated at 50 nM in the presence of increasing amounts of inhibitor (3 μM to 200 μM) in a reaction buffer consisting of PBS at p...


Biochemistry 54: 4365-73 (2015)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree C


J Med Chem 39: 3357-66 (1996)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20094
PNG
(dipeptide-derived nitrile, 15 | tert-butyl N-[(S)-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1
Show InChI InChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12(13(19)17-10-9-16)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3,(H,17,19)(H,18,20)/t12-/m0/s1
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PubMed
8.30E+4 -5.56n/an/an/an/an/a6.525



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50042386
PNG
(CHEMBL325147 | [1-(1-Ethylaminooxalyl-propylcarbam...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H31N3O5/c1-5-16(18(25)20(27)22-6-2)23-19(26)17(12-14(3)4)24-21(28)29-13-15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)
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9.30E+4n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-ketoesters towards papain at pH 6.0


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM20126
PNG
(phenylalanine derived propargyl, 54 | tert-butyl N...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C
Show InChI InChI=1S/C17H22N2O3/c1-5-11-18-15(20)14(12-13-9-7-6-8-10-13)19-16(21)22-17(2,3)4/h1,6-10,14H,11-12H2,2-4H3,(H,18,20)(H,19,21)/t14-/m0/s1
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4.97E+5n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng...


J Med Chem 48: 7688-707 (2005)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM53072
PNG
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-
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n/an/a 8.98E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 mins


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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n/an/a 1.22E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 mins


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM22726
PNG
(Benzophenone | CHEMBL90039 | diphenylmethanone)
Show SMILES O=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
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n/an/a 3.47E+6n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by spectrofluorimetry


Eur J Med Chem 44: 1230-9 (2009)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 2.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against papain using HPLC assay


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM22851
PNG
(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Show SMILES O=C1C=Cc2ccccc2C1=O
Show InChI InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
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n/an/a 1.20E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against papain using HPLC assay


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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n/an/a 9.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against papain using HPLC assay


Citation and Details
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 mins


Bioorg Med Chem 20: 5928-35 (2012)

More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50107000
PNG
(6-Acetyl-5-hydroxy-2-methoxy-7-methyl-[1,4]naphtho...)
Show SMILES COC1=CC(=O)c2c(O)c(C(C)=O)c(C)cc2C1=O
Show InChI InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against papain using HPLC assay


Citation and Details
More data for this
Ligand-Target Pair