Found 7 hits for monomerid = 50478376 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli LpxC |
Bioorg Med Chem Lett 22: 2536-43 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.140 BindingDB Entry DOI: 10.7270/Q2JS9T9W |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli LpxC Q202W/G210S mutant |
Proc Natl Acad Sci U S A 104: 18433-8 (2007)
Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Rhizobium leguminosarum bv. trifolii (strain WSM13...) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutant |
Proc Natl Acad Sci U S A 104: 18433-8 (2007)
Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human MMP-2 by fluorometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01215 BindingDB Entry DOI: 10.7270/Q2Q81HPF |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human MMP-9 by fluorometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01215 BindingDB Entry DOI: 10.7270/Q2Q81HPF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human MMP-3 by fluorometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01215 BindingDB Entry DOI: 10.7270/Q2Q81HPF |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50478376
![PNG](/data/jpeg/tenK5047/BindingDB_50478376.png) (BB-78485 | CHEMBL261713)Show SMILES ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli LpxC |
Proc Natl Acad Sci U S A 104: 18433-8 (2007)
Article DOI: 10.1073/pnas.0709412104 BindingDB Entry DOI: 10.7270/Q2SB48HR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |