Found 136 hits with Last Name = 'brömme' and Initial = 'd' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Papain
(Carica papaya) | BDBM50409589
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409598
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409597
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409590
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409583
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409586
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409592
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409587
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409588
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50032805
(CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39| Show InChI InChI=1S/C40H41N5O6S/c46-38(36(19-15-29-8-2-1-3-9-29)41-20-25-52(49,50)35-18-17-32-11-5-7-13-34(32)28-35)42-37(27-30-14-16-31-10-4-6-12-33(31)26-30)39(47)43-40(48)44-45-21-23-51-24-22-45/h1-14,16-18,20,26,28,36-37H,15,19,21-25,27H2,(H,42,46)(H2,43,44,47,48) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin S |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50032803
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...)Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin S |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50118425
(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) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50032802
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin S |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409584
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50032805
(CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39| Show InChI InChI=1S/C40H41N5O6S/c46-38(36(19-15-29-8-2-1-3-9-29)41-20-25-52(49,50)35-18-17-32-11-5-7-13-34(32)28-35)42-37(27-30-14-16-31-10-4-6-12-33(31)26-30)39(47)43-40(48)44-45-21-23-51-24-22-45/h1-14,16-18,20,26,28,36-37H,15,19,21-25,27H2,(H,42,46)(H2,43,44,47,48) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin L |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409599
(CHEMBL2028925)Show SMILES CCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409594
(CHEMBL2028924)Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)OCc1ccccc1 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50118412
(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) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409596
(CHEMBL2028923)Show SMILES CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409591
(CHEMBL2028922)Show SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccccc1 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409582
(CHEMBL2028926)Show SMILES CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50118425
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description Inhibition of Human Cathepsin K |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50118425
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description Inhibition of Human Cathepsin B |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50032805
(CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39| Show InChI InChI=1S/C40H41N5O6S/c46-38(36(19-15-29-8-2-1-3-9-29)41-20-25-52(49,50)35-18-17-32-11-5-7-13-34(32)28-35)42-37(27-30-14-16-31-10-4-6-12-33(31)26-30)39(47)43-40(48)44-45-21-23-51-24-22-45/h1-14,16-18,20,26,28,36-37H,15,19,21-25,27H2,(H,42,46)(H2,43,44,47,48) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against Cruzaine |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409585
(CHEMBL2028918)Show SMILES CCCCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50118412
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description Inhibition of Human Cathepsin K |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409595
(CHEMBL2028917)Show SMILES COC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50409593
(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 |r| 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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gda£?sk
Curated by ChEMBL
| Assay Description In vitro inhibition of papain. |
J Med Chem 45: 4202-11 (2002)
BindingDB Entry DOI: 10.7270/Q2NP23R8 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50032805
(CHEMBL107495 | N-[2-(3-Morpholin-4-yl-ureido)-1-na...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39| Show InChI InChI=1S/C40H41N5O6S/c46-38(36(19-15-29-8-2-1-3-9-29)41-20-25-52(49,50)35-18-17-32-11-5-7-13-34(32)28-35)42-37(27-30-14-16-31-10-4-6-12-33(31)26-30)39(47)43-40(48)44-45-21-23-51-24-22-45/h1-14,16-18,20,26,28,36-37H,15,19,21-25,27H2,(H,42,46)(H2,43,44,47,48) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin B |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50385972
(CHEMBL2042470)Show SMILES [O-][N+](=O)c1ccc2[nH]c3ccc(OCc4ccccc4)cc3c(=O)c2c1 Show InChI InChI=1S/C20H14N2O4/c23-20-16-10-14(22(24)25)6-8-18(16)21-19-9-7-15(11-17(19)20)26-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysi... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50336482
(CHEMBL1668599 | citibrasine)Show InChI InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots |
Bioorg Med Chem 19: 1477-81 (2011)
Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50032803
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...)Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against Cruzaine |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50032803
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...)Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin O2 |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50032804
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-(4-hydro...)Show SMILES Oc1c(I)cc(CC(NC(=O)C(CCc2ccccc2)N=CCS(=O)(=O)c2ccccc2)C(=O)NC(=O)NN2CCOCC2)cc1I |w:20.20| Show InChI InChI=1S/C32H35I2N5O7S/c33-25-19-23(20-26(34)29(25)40)21-28(31(42)37-32(43)38-39-14-16-46-17-15-39)36-30(41)27(12-11-22-7-3-1-4-8-22)35-13-18-47(44,45)24-9-5-2-6-10-24/h1-10,13,19-20,27-28,40H,11-12,14-18,21H2,(H,36,41)(H2,37,38,42,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibition kinetic constant Ki for the cathepsin B |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50032802
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against Cruzaine |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50385972
(CHEMBL2042470)Show SMILES [O-][N+](=O)c1ccc2[nH]c3ccc(OCc4ccccc4)cc3c(=O)c2c1 Show InChI InChI=1S/C20H14N2O4/c23-20-16-10-14(22(24)25)6-8-18(16)21-19-9-7-15(11-17(19)20)26-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysi... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50336477
(1,3,5-trihydroxy-4-methoxy-10-methyl-2,8-bis(3-met...)Show SMILES [#6]-[#8]-c1c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c2c1n(-[#6])c1c(-[#8])ccc(-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O Show InChI InChI=1S/C25H29NO5/c1-13(2)7-9-15-10-12-17(27)20-18(15)24(30)19-21(26(20)5)25(31-6)23(29)16(22(19)28)11-8-14(3)4/h7-8,10,12,27-29H,9,11H2,1-6H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots |
Bioorg Med Chem 19: 1477-81 (2011)
Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50032803
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[3-methyl-1...)Show SMILES CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17| Show InChI InChI=1S/C29H39N5O6S/c1-22(2)21-26(28(36)32-29(37)33-34-16-18-40-19-17-34)31-27(35)25(14-13-23-9-5-3-6-10-23)30-15-20-41(38,39)24-11-7-4-8-12-24/h3-12,15,22,25-26H,13-14,16-21H2,1-2H3,(H,31,35)(H2,32,33,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin L |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50385984
(CHEMBL2042454)Show SMILES OC(=O)c1cc2ccccc2cc1Nc1ccc(OCc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C24H18N2O5/c27-24(28)20-12-17-8-4-5-9-18(17)13-21(20)25-19-10-11-23(22(14-19)26(29)30)31-15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analy... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50385977
(CHEMBL2042446)Show InChI InChI=1S/C19H19NO/c1-2-3-6-14-9-11-15(12-10-14)18-13-19(21)16-7-4-5-8-17(16)20-18/h4-5,7-13H,2-3,6H2,1H3,(H,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot anal... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50385966
(CHEMBL2042465)Show InChI InChI=1S/C20H15NO2/c22-20-16-8-4-5-9-18(16)21-19-12-15(10-11-17(19)20)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysi... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50032802
(2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...)Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Khepri Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Compound is evaluated for inhibitory potency against cathepsin L |
J Med Chem 38: 3193-6 (1995)
BindingDB Entry DOI: 10.7270/Q21C1VXJ |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50336481
(CHEMBL451705 | citrusinine I | citrusinine-I)Show InChI InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots |
Bioorg Med Chem 19: 1477-81 (2011)
Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50336478
(1,3,5-trihydroxy-4-methoxy-2-(3-methylbut-2-enyl)-...)Show SMILES [#6]-[#8]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1n(-[#6])c1c(-[#8])cccc1c2=O Show InChI InChI=1S/C20H21NO5/c1-10(2)8-9-12-18(24)14-16(20(26-4)19(12)25)21(3)15-11(17(14)23)6-5-7-13(15)22/h5-8,22,24-25H,9H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots |
Bioorg Med Chem 19: 1477-81 (2011)
Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50385962
(CHEMBL2042461)Show SMILES COc1cc(Nc2cc3ccccc3cc2C(O)=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H21NO4/c1-29-24-15-20(11-12-23(24)30-16-17-7-3-2-4-8-17)26-22-14-19-10-6-5-9-18(19)13-21(22)25(27)28/h2-15,26H,16H2,1H3,(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analy... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50336476
(1,3,5-trihydroxy-2,8-bis(3-methylbut-2-enyl)-10-me...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2n(-[#6])c3c(-[#8])ccc(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8] Show InChI InChI=1S/C24H27NO4/c1-13(2)6-8-15-9-11-18(26)22-20(15)24(29)21-17(25(22)5)12-19(27)16(23(21)28)10-7-14(3)4/h6-7,9,11-12,26-28H,8,10H2,1-5H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots |
Bioorg Med Chem 19: 1477-81 (2011)
Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50385966
(CHEMBL2042465)Show InChI InChI=1S/C20H15NO2/c22-20-16-8-4-5-9-18(16)21-19-12-15(10-11-17(19)20)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysi... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50385977
(CHEMBL2042446)Show InChI InChI=1S/C19H19NO/c1-2-3-6-14-9-11-15(12-10-14)18-13-19(21)16-7-4-5-8-17(16)20-18/h4-5,7-13H,2-3,6H2,1H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot anal... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |
Cathepsin L2
(Homo sapiens (Human)) | BDBM50336486
(3,4-dihydro-3,5,8-trihydroxy-6-methoxy-2,2,7-trime...)Show SMILES COc1c(O)c2CC(O)C(C)(C)Oc2c2c1n(C)c1c(O)cccc1c2=O Show InChI InChI=1S/C20H21NO6/c1-20(2)12(23)8-10-17(25)19(26-4)15-13(18(10)27-20)16(24)9-6-5-7-11(22)14(9)21(15)3/h5-7,12,22-23,25H,8H2,1-4H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots |
Bioorg Med Chem 19: 1477-81 (2011)
Article DOI: 10.1016/j.bmc.2010.12.056 BindingDB Entry DOI: 10.7270/Q2QJ7HK4 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50385962
(CHEMBL2042461)Show SMILES COc1cc(Nc2cc3ccccc3cc2C(O)=O)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H21NO4/c1-29-24-15-20(11-12-23(24)30-16-17-7-3-2-4-8-17)26-22-14-19-10-6-5-9-18(19)13-21(22)25(27)28/h2-15,26H,16H2,1H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de S£o Carlos
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analy... |
Eur J Med Chem 54: 10-21 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.002 BindingDB Entry DOI: 10.7270/Q22J6CW7 |
More data for this Ligand-Target Pair | |