Found 20 hits of Enzyme Inhibition Constant Data 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 |
|---|
Chymase
(Homo sapiens (Human)) | BDBM50093750
((6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfany...)Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:30| Show InChI InChI=1S/C28H28N6O9S/c1-16-7-6-8-17(11-16)13-42-24(38)22-18(15-44-27-30-31-32-33(27)12-21(35)36)14-43-26-28(41-3,25(39)34(22)26)29-23(37)19-9-4-5-10-20(19)40-2/h4-11,26H,12-15H2,1-3H3,(H,29,37)(H,35,36)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093751
((6R,7R)-7-Methoxy-7-(2-methoxy-benzoylamino)-3-(1-...)Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:27| Show InChI InChI=1S/C27H26N6O9S/c1-32-26(29-30-31-32)43-14-17-13-42-25-27(40-3,28-21(34)18-6-4-5-7-19(18)39-2)24(38)33(25)20(17)23(37)41-12-15-8-10-16(11-9-15)22(35)36/h4-11,25H,12-14H2,1-3H3,(H,28,34)(H,35,36)/t25-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093749
((6R,7R)-7-Methoxy-3-(1-methyl-1H-tetrazol-5-ylsulf...)Show SMILES CCCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:29| Show InChI InChI=1S/C29H30N6O9S/c1-4-13-42-21-8-6-5-7-20(21)23(36)30-29(41-3)26(40)35-22(25(39)43-14-17-9-11-18(12-10-17)24(37)38)19(15-44-27(29)35)16-45-28-31-32-33-34(28)2/h5-12,27H,4,13-16H2,1-3H3,(H,30,36)(H,37,38)/t27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093747
((6R,7R)-7-(2-sec-Butoxy-benzoylamino)-7-methoxy-3-...)Show SMILES CCC(C)Oc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:30| Show InChI InChI=1S/C30H32N6O9S/c1-5-17(2)45-22-9-7-6-8-21(22)24(37)31-30(42-4)27(41)36-23(26(40)43-14-18-10-12-19(13-11-18)25(38)39)20(15-44-28(30)36)16-46-29-32-33-34-35(29)3/h6-13,17,28H,5,14-16H2,1-4H3,(H,31,37)(H,38,39)/t17?,28-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093746
((6R,7R)-7-(2-Isopropoxy-benzoylamino)-7-methoxy-3-...)Show SMILES CO[C@]1(NC(=O)c2ccccc2OC(C)C)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:29| Show InChI InChI=1S/C29H30N6O9S/c1-16(2)44-21-8-6-5-7-20(21)23(36)30-29(41-4)26(40)35-22(25(39)42-13-17-9-11-18(12-10-17)24(37)38)19(14-43-27(29)35)15-45-28-31-32-33-34(28)3/h5-12,16,27H,13-15H2,1-4H3,(H,30,36)(H,37,38)/t27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093734
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:27| Show InChI InChI=1S/C27H28N6O7S/c1-16-5-4-6-18(11-16)13-39-23(36)22-19(15-41-26-29-30-31-32(26)2)14-40-25-27(38-3,24(37)33(22)25)28-21(35)12-17-7-9-20(34)10-8-17/h4-11,25,34H,12-15H2,1-3H3,(H,28,35)/t25-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093748
((6R,7R)-7-Methoxy-3-(1-methyl-1H-tetrazol-5-ylsulf...)Show SMILES CO[C@]1(NC(=O)c2ccccc2Oc2ccccc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:33| Show InChI InChI=1S/C32H28N6O9S/c1-37-31(34-35-36-37)48-18-21-17-46-30-32(44-2,33-26(39)23-10-6-7-11-24(23)47-22-8-4-3-5-9-22)29(43)38(30)25(21)28(42)45-16-19-12-14-20(15-13-19)27(40)41/h3-15,30H,16-18H2,1-2H3,(H,33,39)(H,40,41)/t30-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093716
((6R,7R)-3-(1-Carboxymethyl-1H-tetrazol-5-ylsulfany...)Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:30| Show InChI InChI=1S/C28H28N6O9S/c1-16-4-3-5-18(10-16)13-42-24(39)23-19(15-44-27-30-31-32-33(27)12-22(37)38)14-43-26-28(41-2,25(40)34(23)26)29-21(36)11-17-6-8-20(35)9-7-17/h3-10,26,35H,11-15H2,1-2H3,(H,29,36)(H,37,38)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093735
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnc(C)s3)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:27| Show InChI InChI=1S/C28H28N4O7S2/c1-16-5-4-6-19(11-16)13-38-24(35)23-20(15-40-27-31-30-17(2)41-27)14-39-26-28(37-3,25(36)32(23)26)29-22(34)12-18-7-9-21(33)10-8-18/h4-11,26,33H,12-15H2,1-3H3,(H,29,34)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound was measured against alpha-chymotrypsin |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093720
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:27| Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-23-18-44-30-32(43-2,33-25(40)17-20-13-15-24(39)16-14-20)29(42)38(30)26(23)28(41)45-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,27,30,39H,17-19H2,1-2H3,(H,33,40)/t30-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound was measured against cathepsin G |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093730
((6R,7R)-7-[2-(4-Dimethylamino-phenyl)-acetylamino]...)Show SMILES CO[C@]1(NC(=O)Cc2ccc(cc2)N(C)C)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:29| Show InChI InChI=1S/C34H35N7O6S/c1-39(2)26-17-15-22(16-18-26)19-27(42)35-34(45-4)31(44)41-28(25(20-46-32(34)41)21-48-33-36-37-38-40(33)3)30(43)47-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,29,32H,19-21H2,1-4H3,(H,35,42)/t32-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093727
((6R,7R)-7-Methoxy-7-(2-methoxy-benzoylamino)-3-(1-...)Show SMILES COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:27| Show InChI InChI=1S/C32H30N6O7S/c1-37-31(34-35-36-37)46-19-22-18-44-30-32(43-3,33-27(39)23-16-10-11-17-24(23)42-2)29(41)38(30)25(22)28(40)45-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17,26,30H,18-19H2,1-3H3,(H,33,39)/t30-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound was measured against trypsin |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound was measured against thrombin |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound was measured against elastase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50093745
((6R,7R)-7-(2-Ethoxy-benzoylamino)-7-methoxy-3-(1-m...)Show SMILES CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28| Show InChI InChI=1S/C28H28N6O9S/c1-4-41-20-8-6-5-7-19(20)22(35)29-28(40-3)25(39)34-21(24(38)42-13-16-9-11-17(12-10-16)23(36)37)18(14-43-26(28)34)15-44-27-30-31-32-33(27)2/h5-12,26H,4,13-15H2,1-3H3,(H,29,35)(H,36,37)/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound was measured against plasmin |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50093732
((6R,7R)-7-[2-(4-Hydroxy-phenyl)-acetylamino]-7-met...)Show SMILES CO[C@]1(NC(=O)Cc2ccc(O)cc2)[C@H]2OCC(C)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:19| Show InChI InChI=1S/C25H26N2O7/c1-15-5-4-6-18(11-15)14-33-22(30)21-16(2)13-34-24-25(32-3,23(31)27(21)24)26-20(29)12-17-7-9-19(28)10-8-17/h4-11,24,28H,12-14H2,1-3H3,(H,26,29)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human Serine protease chymase |
Bioorg Med Chem Lett 10: 2403-6 (2001)
BindingDB Entry DOI: 10.7270/Q23R0S4F |
More data for this
Ligand-Target Pair | |
Search and Browse
