Found 46 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 |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50105442
((S)-2-(Acetyl-methyl-amino)-N-hydroxy-3-(4-phenoxy...)Show SMILES CN([C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)C(C)=O Show InChI InChI=1S/C18H20N2O6S/c1-13(21)20(2)17(18(22)19-23)12-27(24,25)16-10-8-15(9-11-16)26-14-6-4-3-5-7-14/h3-11,17,23H,12H2,1-2H3,(H,19,22)/t17-/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105425
((S)-2-(Benzyl-methyl-amino)-N-hydroxy-3-(4-phenoxy...)Show SMILES CN(Cc1ccccc1)[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C23H24N2O5S/c1-25(16-18-8-4-2-5-9-18)22(23(26)24-27)17-31(28,29)21-14-12-20(13-15-21)30-19-10-6-3-7-11-19/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105433
(CHEMBL329104 | [(S)-1-Hydroxycarbamoyl-2-(4-phenox...)Show SMILES CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O7S/c1-20(2,3)29-19(24)21-17(18(23)22-25)13-30(26,27)16-11-9-15(10-12-16)28-14-7-5-4-6-8-14/h4-12,17,25H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105438
(CHEMBL328792 | [(S)-1-Hydroxycarbamoyl-2-(4-phenox...)Show SMILES CN([C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H26N2O7S/c1-21(2,3)30-20(25)23(4)18(19(24)22-26)14-31(27,28)17-12-10-16(11-13-17)29-15-8-6-5-7-9-15/h5-13,18,26H,14H2,1-4H3,(H,22,24)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105426
(CHEMBL94185 | N-Hydroxy-3-(4-phenylsulfanyl-benzen...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C22H22N2O6S3/c1-16-7-11-20(12-8-16)33(29,30)24-21(22(25)23-26)15-32(27,28)19-13-9-18(10-14-19)31-17-5-3-2-4-6-17/h2-14,21,24,26H,15H2,1H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105435
(CHEMBL90604 | [(S)-1-Hydroxycarbamoyl-2-(4-phenyls...)Show SMILES ONC(=O)[C@@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O6S2/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26)/t21-/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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105445
((S)-N-Hydroxy-2-methylamino-3-(4-phenoxy-benzenesu...)Show SMILES CN[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C16H18N2O5S/c1-17-15(16(19)18-20)11-24(21,22)14-9-7-13(8-10-14)23-12-5-3-2-4-6-12/h2-10,15,17,20H,11H2,1H3,(H,18,19)/t15-/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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105436
(CHEMBL316293 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...)Show SMILES COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105437
(CHEMBL90764 | N-Hydroxy-3-(4-phenoxy-benzenesulfon...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C22H22N2O7S2/c1-16-7-11-20(12-8-16)33(29,30)24-21(22(25)23-26)15-32(27,28)19-13-9-18(10-14-19)31-17-5-3-2-4-6-17/h2-14,21,24,26H,15H2,1H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105443
(CHEMBL329599 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...)Show SMILES ONC(=O)[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccncc1 Show InChI InChI=1S/C21H19N3O6S/c25-20(15-10-12-22-13-11-15)23-19(21(26)24-27)14-31(28,29)18-8-6-17(7-9-18)30-16-4-2-1-3-5-16/h1-13,19,27H,14H2,(H,23,25)(H,24,26)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105429
(CHEMBL328121 | {[1-Hydroxycarbamoyl-2-(4-phenylsul...)Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H25N3O7S2/c29-23(15-26-25(31)35-16-18-7-3-1-4-8-18)27-22(24(30)28-32)17-37(33,34)21-13-11-20(12-14-21)36-19-9-5-2-6-10-19/h1-14,22,32H,15-17H2,(H,26,31)(H,27,29)(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105439
(CHEMBL93742 | {[1-Hydroxycarbamoyl-2-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H23N3O8S/c1-30-15-7-9-16(10-8-15)32(28,29)13-17(19(25)23-27)22-18(24)11-21-20(26)31-12-14-5-3-2-4-6-14/h2-10,17,27H,11-13H2,1H3,(H,21,26)(H,22,24)(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105427
(2-Acetylamino-N-hydroxy-3-(4-phenoxy-benzenesulfon...)Show SMILES CC(=O)NC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N2O6S/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105440
(CHEMBL419875 | [1-Hydroxycarbamoyl-2-(4-phenoxy-be...)Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O7S/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105430
((S)-N-Hydroxy-2-[methyl-(2-pyridin-4-yl-acetyl)-am...)Show SMILES CN([C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)C(=O)Cc1ccncc1 Show InChI InChI=1S/C23H23N3O6S/c1-26(22(27)15-17-11-13-24-14-12-17)21(23(28)25-29)16-33(30,31)20-9-7-19(8-10-20)32-18-5-3-2-4-6-18/h2-14,21,29H,15-16H2,1H3,(H,25,28)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105434
((S)-2-Acetylamino-N-hydroxy-3-(4-phenylsulfanyl-be...)Show SMILES CC(=O)N[C@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21)/t16-/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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105428
(CHEMBL91608 | [1-Hydroxycarbamoyl-2-(4-phenylsulfa...)Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O6S2/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105441
(CHEMBL90456 | [(S)-1-Hydroxycarbamoyl-2-(4-phenyls...)Show SMILES CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O6S2/c1-20(2,3)28-19(24)21-17(18(23)22-25)13-30(26,27)16-11-9-15(10-12-16)29-14-7-5-4-6-8-14/h4-12,17,25H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105424
(2-Acetylamino-N-hydroxy-3-(4-phenylsulfanyl-benzen...)Show SMILES CC(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105432
(2-Amino-N-hydroxy-3-(4-methoxy-benzenesulfonyl)-pr...)Show InChI InChI=1S/C10H14N2O5S/c1-17-7-2-4-8(5-3-7)18(15,16)6-9(11)10(13)12-14/h2-5,9,14H,6,11H2,1H3,(H,12,13) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105444
(2-Acetylamino-N-hydroxy-3-(4-methoxy-benzenesulfon...)Show InChI InChI=1S/C12H16N2O6S/c1-8(15)13-11(12(16)14-17)7-21(18,19)10-5-3-9(20-2)4-6-10/h3-6,11,17H,7H2,1-2H3,(H,13,15)(H,14,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105446
(CHEMBL327901 | [1-Hydroxycarbamoyl-2-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)CC(NC(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C15H22N2O7S/c1-15(2,3)24-14(19)16-12(13(18)17-20)9-25(21,22)11-7-5-10(23-4)6-8-11/h5-8,12,20H,9H2,1-4H3,(H,16,19)(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50105431
(2-Amino-N-hydroxy-3-(4-phenylsulfanyl-benzenesulfo...)Show InChI InChI=1S/C15H16N2O4S2/c16-14(15(18)17-19)10-23(20,21)13-8-6-12(7-9-13)22-11-4-2-1-3-5-11/h1-9,14,19H,10,16H2,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105439
(CHEMBL93742 | {[1-Hydroxycarbamoyl-2-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H23N3O8S/c1-30-15-7-9-16(10-8-15)32(28,29)13-17(19(25)23-27)22-18(24)11-21-20(26)31-12-14-5-3-2-4-6-14/h2-10,17,27H,11-13H2,1H3,(H,21,26)(H,22,24)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105442
((S)-2-(Acetyl-methyl-amino)-N-hydroxy-3-(4-phenoxy...)Show SMILES CN([C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)C(C)=O Show InChI InChI=1S/C18H20N2O6S/c1-13(21)20(2)17(18(22)19-23)12-27(24,25)16-10-8-15(9-11-16)26-14-6-4-3-5-7-14/h3-11,17,23H,12H2,1-2H3,(H,19,22)/t17-/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 | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105432
(2-Amino-N-hydroxy-3-(4-methoxy-benzenesulfonyl)-pr...)Show InChI InChI=1S/C10H14N2O5S/c1-17-7-2-4-8(5-3-7)18(15,16)6-9(11)10(13)12-14/h2-5,9,14H,6,11H2,1H3,(H,12,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105430
((S)-N-Hydroxy-2-[methyl-(2-pyridin-4-yl-acetyl)-am...)Show SMILES CN([C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)C(=O)Cc1ccncc1 Show InChI InChI=1S/C23H23N3O6S/c1-26(22(27)15-17-11-13-24-14-12-17)21(23(28)25-29)16-33(30,31)20-9-7-19(8-10-20)32-18-5-3-2-4-6-18/h2-14,21,29H,15-16H2,1H3,(H,25,28)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 2.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105444
(2-Acetylamino-N-hydroxy-3-(4-methoxy-benzenesulfon...)Show InChI InChI=1S/C12H16N2O6S/c1-8(15)13-11(12(16)14-17)7-21(18,19)10-5-3-9(20-2)4-6-10/h3-6,11,17H,7H2,1-2H3,(H,13,15)(H,14,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105436
(CHEMBL316293 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...)Show SMILES COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/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 | 3.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105437
(CHEMBL90764 | N-Hydroxy-3-(4-phenoxy-benzenesulfon...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C22H22N2O7S2/c1-16-7-11-20(12-8-16)33(29,30)24-21(22(25)23-26)15-32(27,28)19-13-9-18(10-14-19)31-17-5-3-2-4-6-17/h2-14,21,24,26H,15H2,1H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105445
((S)-N-Hydroxy-2-methylamino-3-(4-phenoxy-benzenesu...)Show SMILES CN[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C16H18N2O5S/c1-17-15(16(19)18-20)11-24(21,22)14-9-7-13(8-10-14)23-12-5-3-2-4-6-12/h2-10,15,17,20H,11H2,1H3,(H,18,19)/t15-/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 | 4.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105425
((S)-2-(Benzyl-methyl-amino)-N-hydroxy-3-(4-phenoxy...)Show SMILES CN(Cc1ccccc1)[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C23H24N2O5S/c1-25(16-18-8-4-2-5-9-18)22(23(26)24-27)17-31(28,29)21-14-12-20(13-15-21)30-19-10-6-3-7-11-19/h2-15,22,27H,16-17H2,1H3,(H,24,26)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105433
(CHEMBL329104 | [(S)-1-Hydroxycarbamoyl-2-(4-phenox...)Show SMILES CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O7S/c1-20(2,3)29-19(24)21-17(18(23)22-25)13-30(26,27)16-11-9-15(10-12-16)28-14-7-5-4-6-8-14/h4-12,17,25H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/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 | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105426
(CHEMBL94185 | N-Hydroxy-3-(4-phenylsulfanyl-benzen...)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C22H22N2O6S3/c1-16-7-11-20(12-8-16)33(29,30)24-21(22(25)23-26)15-32(27,28)19-13-9-18(10-14-19)31-17-5-3-2-4-6-17/h2-14,21,24,26H,15H2,1H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105427
(2-Acetylamino-N-hydroxy-3-(4-phenoxy-benzenesulfon...)Show SMILES CC(=O)NC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N2O6S/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105443
(CHEMBL329599 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...)Show SMILES ONC(=O)[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccncc1 Show InChI InChI=1S/C21H19N3O6S/c25-20(15-10-12-22-13-11-15)23-19(21(26)24-27)14-31(28,29)18-8-6-17(7-9-18)30-16-4-2-1-3-5-16/h1-13,19,27H,14H2,(H,23,25)(H,24,26)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105440
(CHEMBL419875 | [1-Hydroxycarbamoyl-2-(4-phenoxy-be...)Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O7S/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105446
(CHEMBL327901 | [1-Hydroxycarbamoyl-2-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)CC(NC(=O)OC(C)(C)C)C(=O)NO Show InChI InChI=1S/C15H22N2O7S/c1-15(2,3)24-14(19)16-12(13(18)17-20)9-25(21,22)11-7-5-10(23-4)6-8-11/h5-8,12,20H,9H2,1-4H3,(H,16,19)(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105438
(CHEMBL328792 | [(S)-1-Hydroxycarbamoyl-2-(4-phenox...)Show SMILES CN([C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H26N2O7S/c1-21(2,3)30-20(25)23(4)18(19(24)22-26)14-31(27,28)17-12-10-16(11-13-17)29-15-8-6-5-7-9-15/h5-13,18,26H,14H2,1-4H3,(H,22,24)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105435
(CHEMBL90604 | [(S)-1-Hydroxycarbamoyl-2-(4-phenyls...)Show SMILES ONC(=O)[C@@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O6S2/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26)/t21-/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 | 8.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105431
(2-Amino-N-hydroxy-3-(4-phenylsulfanyl-benzenesulfo...)Show InChI InChI=1S/C15H16N2O4S2/c16-14(15(18)17-19)10-23(20,21)13-8-6-12(7-9-13)22-11-4-2-1-3-5-11/h1-9,14,19H,10,16H2,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105424
(2-Acetylamino-N-hydroxy-3-(4-phenylsulfanyl-benzen...)Show SMILES CC(=O)NC(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105434
((S)-2-Acetylamino-N-hydroxy-3-(4-phenylsulfanyl-be...)Show SMILES CC(=O)N[C@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C17H18N2O5S2/c1-12(20)18-16(17(21)19-22)11-26(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16,22H,11H2,1H3,(H,18,20)(H,19,21)/t16-/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+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105441
(CHEMBL90456 | [(S)-1-Hydroxycarbamoyl-2-(4-phenyls...)Show SMILES CC(C)(C)OC(=O)N[C@H](CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O6S2/c1-20(2,3)28-19(24)21-17(18(23)22-25)13-30(26,27)16-11-9-15(10-12-16)29-14-7-5-4-6-8-14/h4-12,17,25H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/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+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105428
(CHEMBL91608 | [1-Hydroxycarbamoyl-2-(4-phenylsulfa...)Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H22N2O6S2/c26-22(25-28)21(24-23(27)31-15-17-7-3-1-4-8-17)16-33(29,30)20-13-11-19(12-14-20)32-18-9-5-2-6-10-18/h1-14,21,28H,15-16H2,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50105429
(CHEMBL328121 | {[1-Hydroxycarbamoyl-2-(4-phenylsul...)Show SMILES ONC(=O)C(CS(=O)(=O)c1ccc(Sc2ccccc2)cc1)NC(=O)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H25N3O7S2/c29-23(15-26-25(31)35-16-18-7-3-1-4-8-18)27-22(24(30)28-32)17-37(33,34)21-13-11-20(12-14-21)36-19-9-5-2-6-10-19/h1-14,22,32H,15-17H2,(H,26,31)(H,27,29)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 11: 2719-22 (2001)
BindingDB Entry DOI: 10.7270/Q2TD9WNW |
More data for this
Ligand-Target Pair | |
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