Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50037027 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 |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291993
(10-Hydroxy-9-isobutyl-6-[3-methyl-2-(3-methyl-buty...)Show SMILES COC(=O)[C@@H]1Cc2cccc(CNC(=O)C[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[P@@](O)(=O)O1)c2 Show InChI InChI=1S/C30H47N4O9P/c1-17(2)11-25(36)33-27(19(5)6)29(38)32-22-15-24(35)31-16-21-10-8-9-20(13-21)14-23(30(39)42-7)43-44(40,41)26(12-18(3)4)34-28(22)37/h8-10,13,17-19,22-23,26-27H,11-12,14-16H2,1-7H3,(H,31,35)(H,32,38)(H,33,36)(H,34,37)(H,40,41)/t22-,23-,26+,27?/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 Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291995
(2-({1-[2-(2-Benzyloxycarbonylamino-propionylamino)...)Show SMILES COC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20?,21?,24-,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | 3.5 | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin at pH 3.5 |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50113839
(CHEMBL82285 | {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHE...)Show SMILES O=C(c1c(sc2ccccc12)-c1ccc(OCCN2CCCC2)cc1)c1ccc(OCCN2CCCC2)nc1 Show InChI InChI=1S/C32H35N3O3S/c36-31(25-11-14-29(33-23-25)38-22-20-35-17-5-6-18-35)30-27-7-1-2-8-28(27)39-32(30)24-9-12-26(13-10-24)37-21-19-34-15-3-4-16-34/h1-2,7-14,23H,3-6,15-22H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against human thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Saccharopepsin
(Saccharomyces cerevisiae) | BDBM50113847
(1H-Benzoimidazole-2-carboxylic acid {1-[1-cyclohex...)Show SMILES CSC[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC#C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against saccharopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113835
(4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...)Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Glutamine synthetase
(Homo sapiens (Human)) | BDBM50113828
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against Glutamine synthetase |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50113855
(2,2-Difluoro-3,3-dihydroxy-6-methyl-4-{3-methyl-2-...)Show SMILES CNC(=O)C(F)(F)C(O)(O)[C@@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C24H44F2N4O6/c1-12(2)10-16(24(35,36)23(25,26)22(34)27-9)28-20(32)19(15(7)8)30-21(33)18(14(5)6)29-17(31)11-13(3)4/h12-16,18-19,35-36H,10-11H2,1-9H3,(H,27,34)(H,28,32)(H,29,31)(H,30,33)/t16-,18?,19?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113829
(C-Cyclohexyl-methylamine | CHEMBL1049 | Decarboxyl...)Show InChI InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113849
(3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylami...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1 Show InChI InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against human thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against human thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50113854
(4-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylami...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C(N)=[NH2+])C(=O)N1CCCCC1 Show InChI InChI=1S/C22H28N4O3S/c1-16-5-11-19(12-6-16)30(28,29)25-20(22(27)26-13-3-2-4-14-26)15-17-7-9-18(10-8-17)21(23)24/h5-12,20,25H,2-4,13-15H2,1H3,(H3,23,24)/p+1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine Thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291995
(2-({1-[2-(2-Benzyloxycarbonylamino-propionylamino)...)Show SMILES COC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20?,21?,24-,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 4.5 | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin at pH 4.5 |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291994
(2-[Hydroxy-(3-methyl-1-{3-methyl-2-[3-methyl-2-(3-...)Show SMILES COC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26?,27-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Saccharopepsin
(Saccharomyces cerevisiae) | BDBM50113828
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against saccharopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50113828
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against Cathepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50037996
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine Thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50113843
(2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-[6-(2-py...)Show SMILES Oc1ccc2c(Cc3ccc(OCCN4CCCC4)nc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H37N3O3S/c36-26-8-11-28-29(21-24-5-12-31(33-23-24)38-20-18-35-15-3-4-16-35)32(39-30(28)22-26)25-6-9-27(10-7-25)37-19-17-34-13-1-2-14-34/h5-12,22-23,36H,1-4,13-21H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against human thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50113831
(2,2-Difluoro-3-hydroxy-6-methyl-4-{3-methyl-2-[3-m...)Show SMILES CNC(=O)C(F)(F)C(O)[C@@H](CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C24H44F2N4O5/c1-12(2)10-16(20(32)24(25,26)23(35)27-9)28-21(33)19(15(7)8)30-22(34)18(14(5)6)29-17(31)11-13(3)4/h12-16,18-20,32H,10-11H2,1-9H3,(H,27,35)(H,28,33)(H,29,31)(H,30,34)/t16-,18?,19?,20?/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM10758
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113851
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Saccharopepsin
(Saccharomyces cerevisiae) | BDBM50005417
(CHEMBL266334 | N-[(1-Cyclohexylmethyl-2,3-dihydrox...)Show SMILES CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against saccharopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Triosephosphate isomerase
(Homo sapiens (Human)) | BDBM50113828
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against Triosephosphate isomerase |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50113825
(1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quin...)Show SMILES CC1CCN(C(C1)C([O-])=O)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2C[C@@H](C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14?,15-,17?,18?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine Thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291996
(CHEMBL82364 | [Hydroxy-(3-methyl-1-{3-methyl-2-[3-...)Show SMILES CCOC(=O)C[P@@](O)(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-23(30)22(17(8)9)27-24(31)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22H,10-13H2,1-9H3,(H,25,28)(H,26,30)(H,27,31)(H,32,33)/t19-,21?,22+/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113840
(4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...)Show InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50070629
(4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-eth...)Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine Thrombin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113826
(3-Phenyl-propylamine | 3-phenylpropylamine | CHEMB...)Show InChI InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against bovine trypsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291997
(2-[(1-{3-Carbamoyl-2-[3-methyl-2-(3-methyl-butyryl...)Show SMILES COC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)CC(C)C)C(C)C Show InChI InChI=1S/C29H47N4O9P/c1-17(2)13-24(35)32-26(19(5)6)28(37)31-21(16-23(30)34)27(36)33-25(14-18(3)4)43(39,40)42-22(29(38)41-7)15-20-11-9-8-10-12-20/h8-12,17-19,21-22,25-26H,13-16H2,1-7H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)(H,39,40)/t21-,22-,25+,26?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Penicillopepsin-1
(Penicillium janthinellum) | BDBM50291995
(2-({1-[2-(2-Benzyloxycarbonylamino-propionylamino)...)Show SMILES COC(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20?,21?,24-,25+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against penicillopepsin at pH 5.5 |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM22319
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against Adipocyte lipid binding protein |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50240485
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against Adipocyte lipid binding protein |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50250904
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against Adipocyte lipid binding protein |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50152850
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 8.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of Parma
Curated by ChEMBL
| Assay Description Binding affinity against Adipocyte lipid binding protein |
J Med Chem 45: 2469-83 (2002)
BindingDB Entry DOI: 10.7270/Q28916J7 |
More data for this Ligand-Target Pair | |