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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'abrahamson' and Initial = 'm'   
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
Papain


(Carica papaya)
BDBM50409589
PNG
(CHEMBL2028920)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C43H59N7O9/c1-9-27(6)36(40(54)47-35(26(4)5)41(55)58-8)48-42(56)50-49-39(53)34(23-31-20-15-19-30-18-13-14-21-32(30)31)46-38(52)33(22-25(2)3)45-37(51)28(7)44-43(57)59-24-29-16-11-10-12-17-29/h10-21,25-28,33-36H,9,22-24H2,1-8H3,(H,44,57)(H,45,51)(H,46,52)(H,47,54)(H,49,53)(H2,48,50,56)/t27-,28-,33-,34-,35-,36-/m0/s1
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PubMed
0.100n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409598
PNG
(CHEMBL2028910)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C39H57N7O9/c1-9-25(6)32(36(50)43-31(24(4)5)37(51)54-8)44-38(52)46-45-35(49)30(21-27-16-12-10-13-17-27)42-34(48)29(20-23(2)3)41-33(47)26(7)40-39(53)55-22-28-18-14-11-15-19-28/h10-19,23-26,29-32H,9,20-22H2,1-8H3,(H,40,53)(H,41,47)(H,42,48)(H,43,50)(H,45,49)(H2,44,46,52)/t25-,26-,29-,30-,31-,32-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409597
PNG
(CHEMBL2028912)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C40H59N7O10/c1-10-25(6)33(37(51)44-32(24(4)5)38(52)56-9)45-39(53)47-46-36(50)31(21-27-16-18-29(55-8)19-17-27)43-35(49)30(20-23(2)3)42-34(48)26(7)41-40(54)57-22-28-14-12-11-13-15-28/h11-19,23-26,30-33H,10,20-22H2,1-9H3,(H,41,54)(H,42,48)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,53)/t25-,26-,30-,31-,32-,33-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409590
PNG
(CHEMBL2028909)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C34H57N11O8/c1-18(2)16-24(40-28(47)23(14-11-15-38-32(36)37)41-34(52)53-17-22-12-9-8-10-13-22)29(48)42-26(20(5)6)31(50)44-45-33(51)43-25(19(3)4)30(49)39-21(7)27(35)46/h8-10,12-13,18-21,23-26H,11,14-17H2,1-7H3,(H2,35,46)(H,39,49)(H,40,47)(H,41,52)(H,42,48)(H,44,50)(H4,36,37,38)(H2,43,45,51)/t21-,23-,24-,25-,26-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409583
PNG
(CHEMBL2028921)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H55N9O9/c1-9-22(6)29(33(49)42-28(21(4)5)34(50)53-8)43-35(51)45-44-32(48)27(16-25-17-37-19-38-25)41-31(47)26(15-20(2)3)40-30(46)23(7)39-36(52)54-18-24-13-11-10-12-14-24/h10-14,17,19-23,26-29H,9,15-16,18H2,1-8H3,(H,37,38)(H,39,52)(H,40,46)(H,41,47)(H,42,49)(H,44,48)(H2,43,45,51)/t22-,23-,26-,27-,28-,29-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409586
PNG
(CHEMBL2028907)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C38H64N10O9/c1-10-24(8)30(33(51)45-29(23(6)7)35(53)56-9)46-37(54)48-47-34(52)28(22(4)5)44-32(50)27(19-21(2)3)42-31(49)26(17-14-18-41-36(39)40)43-38(55)57-20-25-15-12-11-13-16-25/h11-13,15-16,21-24,26-30H,10,14,17-20H2,1-9H3,(H,42,49)(H,43,55)(H,44,50)(H,45,51)(H,47,52)(H4,39,40,41)(H2,46,48,54)/t24-,26-,27-,28-,29-,30-/m0/s1
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0.770n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409592
PNG
(CHEMBL2028908)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C)C(=O)NCC(N)=O
Show InChI InChI=1S/C31H51N11O8/c1-17(2)14-22(27(46)40-24(18(3)4)28(47)41-42-30(48)37-19(5)25(44)36-15-23(32)43)38-26(45)21(12-9-13-35-29(33)34)39-31(49)50-16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-22,24H,9,12-16H2,1-5H3,(H2,32,43)(H,36,44)(H,38,45)(H,39,49)(H,40,46)(H,41,47)(H4,33,34,35)(H2,37,42,48)/t19-,21-,22-,24-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409587
PNG
(CHEMBL2028911)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C36H59N7O9/c1-11-22(7)28(32(46)39-27(21(5)6)34(48)51-10)41-35(49)43-42-33(47)29(23(8)12-2)40-31(45)26(18-20(3)4)38-30(44)24(9)37-36(50)52-19-25-16-14-13-15-17-25/h13-17,20-24,26-29H,11-12,18-19H2,1-10H3,(H,37,50)(H,38,44)(H,39,46)(H,40,45)(H,42,47)(H2,41,43,49)/t22-,23-,24-,26-,27-,28-,29-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409588
PNG
(CHEMBL2028919)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H64N8O8/c1-10-28(8)35(40(55)47-34(27(6)7)39(54)43-23-30-17-13-11-14-18-30)48-41(56)50-49-38(53)33(22-26(4)5)46-37(52)32(21-25(2)3)45-36(51)29(9)44-42(57)58-24-31-19-15-12-16-20-31/h11-20,25-29,32-35H,10,21-24H2,1-9H3,(H,43,54)(H,44,57)(H,45,51)(H,46,52)(H,47,55)(H,49,53)(H2,48,50,56)/t28-,29-,32-,33-,34-,35-/m0/s1
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1.35n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50118425
PNG
(CHEMBL263061 | Z-leu-Val-Agly-Val-OBzl)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N5O7/c1-20(2)17-25(33-32(42)44-19-24-15-11-8-12-16-24)28(38)34-26(21(3)4)29(39)36-37-31(41)35-27(22(5)6)30(40)43-18-23-13-9-7-10-14-23/h7-16,20-22,25-27H,17-19H2,1-6H3,(H,33,42)(H,34,38)(H,36,39)(H2,35,37,41)
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6.70n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409584
PNG
(CHEMBL2028906)
Show SMILES CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC
Show InChI InChI=1S/C49H74N12O10/c1-10-30(8)40(44(65)58-38(28(4)5)43(64)55-37(46(67)70-9)24-32-25-53-34-20-15-14-19-33(32)34)59-48(68)61-60-45(66)39(29(6)7)57-42(63)36(23-27(2)3)54-41(62)35(21-16-22-52-47(50)51)56-49(69)71-26-31-17-12-11-13-18-31/h11-15,17-20,25,27-30,35-40,53H,10,16,21-24,26H2,1-9H3,(H,54,62)(H,55,64)(H,56,69)(H,57,63)(H,58,65)(H,60,66)(H4,50,51,52)(H2,59,61,68)/t30-,35-,36-,37-,38-,39-,40-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409599
PNG
(CHEMBL2028925)
Show SMILES CCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C19H28N4O5/c1-5-28-18(26)16(12(2)3)21-19(27)23-22-17(25)15(20-13(4)24)11-14-9-7-6-8-10-14/h6-10,12,15-16H,5,11H2,1-4H3,(H,20,24)(H,22,25)(H2,21,23,27)/t15-,16-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409594
PNG
(CHEMBL2028924)
Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H30N4O5/c1-16(2)21(23(31)33-15-19-12-8-5-9-13-19)26-24(32)28-27-22(30)20(25-17(3)29)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15H2,1-3H3,(H,25,29)(H,27,30)(H2,26,28,32)/t20-,21-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50118412
PNG
(Boc-Agly-Val-Agly-OEt | CHEMBL135413)
Show SMILES CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C19H36N4O6/c1-9-28-18(27)23-22-16(25)14(12(4)5)21-15(24)13(10-11(2)3)20-17(26)29-19(6,7)8/h11-14H,9-10H2,1-8H3,(H,20,26)(H,21,24)(H,22,25)(H,23,27)
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24n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409596
PNG
(CHEMBL2028923)
Show SMILES CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C21H33N5O4/c1-5-6-12-22-20(29)18(14(2)3)24-21(30)26-25-19(28)17(23-15(4)27)13-16-10-8-7-9-11-16/h7-11,14,17-18H,5-6,12-13H2,1-4H3,(H,22,29)(H,23,27)(H,25,28)(H2,24,26,30)/t17-,18-/m0/s1
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28n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409591
PNG
(CHEMBL2028922)
Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N5O4/c1-16(2)21(23(32)25-15-19-12-8-5-9-13-19)27-24(33)29-28-22(31)20(26-17(3)30)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15H2,1-3H3,(H,25,32)(H,26,30)(H,28,31)(H2,27,29,33)/t20-,21-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409582
PNG
(CHEMBL2028926)
Show SMILES CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C18H27N5O4/c1-11(2)15(17(26)19-4)21-18(27)23-22-16(25)14(20-12(3)24)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,19,26)(H,20,24)(H,22,25)(H2,21,23,27)/t14-,15-/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50118425
PNG
(CHEMBL263061 | Z-leu-Val-Agly-Val-OBzl)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N5O7/c1-20(2)17-25(33-32(42)44-19-24-15-11-8-12-16-24)28(38)34-26(21(3)4)29(39)36-37-31(41)35-27(22(5)6)30(40)43-18-23-13-9-7-10-14-23/h7-16,20-22,25-27H,17-19H2,1-6H3,(H,33,42)(H,34,38)(H,36,39)(H2,35,37,41)
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34n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
Inhibition of Human Cathepsin K


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50118425
PNG
(CHEMBL263061 | Z-leu-Val-Agly-Val-OBzl)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H45N5O7/c1-20(2)17-25(33-32(42)44-19-24-15-11-8-12-16-24)28(38)34-26(21(3)4)29(39)36-37-31(41)35-27(22(5)6)30(40)43-18-23-13-9-7-10-14-23/h7-16,20-22,25-27H,17-19H2,1-6H3,(H,33,42)(H,34,38)(H,36,39)(H2,35,37,41)
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40n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
Inhibition of Human Cathepsin B


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409585
PNG
(CHEMBL2028918)
Show SMILES CCCCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C21H32N4O5/c1-5-6-12-30-20(28)18(14(2)3)23-21(29)25-24-19(27)17(22-15(4)26)13-16-10-8-7-9-11-16/h7-11,14,17-18H,5-6,12-13H2,1-4H3,(H,22,26)(H,24,27)(H2,23,25,29)/t17-,18-/m0/s1
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59n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50118412
PNG
(Boc-Agly-Val-Agly-OEt | CHEMBL135413)
Show SMILES CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C19H36N4O6/c1-9-28-18(27)23-22-16(25)14(12(4)5)21-15(24)13(10-11(2)3)20-17(26)29-19(6,7)8/h11-14H,9-10H2,1-8H3,(H,20,26)(H,21,24)(H,22,25)(H,23,27)
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61n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
Inhibition of Human Cathepsin K


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409595
PNG
(CHEMBL2028917)
Show SMILES COC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C18H26N4O5/c1-11(2)15(17(25)27-4)20-18(26)22-21-16(24)14(19-12(3)23)10-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3,(H,19,23)(H,21,24)(H2,20,22,26)/t14-,15-/m0/s1
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61n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50409593
PNG
(CHEMBL2028913)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C45H67N13O9/c1-24(2)20-33(52-38(60)32(18-13-19-49-43(47)48)54-45(66)67-23-28-14-9-8-10-15-28)39(61)56-36(26(5)6)42(64)57-58-44(65)53-34(21-29-22-50-31-17-12-11-16-30(29)31)40(62)55-35(25(3)4)41(63)51-27(7)37(46)59/h8-12,14-17,22,24-27,32-36,50H,13,18-21,23H2,1-7H3,(H2,46,59)(H,51,63)(H,52,60)(H,54,66)(H,55,62)(H,56,61)(H,57,64)(H4,47,48,49)(H2,53,58,65)/t27-,32-,33-,34-,35-,36-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


J Med Chem 45: 4202-11 (2002)


Article DOI: 10.1021/jm020850k
BindingDB Entry DOI: 10.7270/Q2NP23R8
More data for this
Ligand-Target Pair