Found 8 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 |
|---|
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92383
(Biotin triazole, 14)Show SMILES Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SCC5NC(=O)NC45)nn3)c2c1 |r| Show InChI InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18?,21-,22?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92382
(Biotin triazole, 13)Show SMILES O=C1NC2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)C2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-23-18-34-24(25(23)28-26)11-3-1-2-10-21-17-31(30-29-21)14-6-7-15-33-22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-9,12-13,16-17,23-25H,1-3,6-7,10-11,14-15,18H2,(H2,27,28,32)/t23?,24-,25?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92378
(Biotin triazole, 5)Show SMILES Nc1ncnc2N(CNc12)[C@@H]1O[C@H](Cn2cc(CCCCC[C@@H]3SCC4NC(=O)NC34)nn2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H32N10O4S/c23-19-16-20(25-9-24-19)32(10-26-16)21-18(34)17(33)13(36-21)7-31-6-11(29-30-31)4-2-1-3-5-14-15-12(8-37-14)27-22(35)28-15/h6,9,12-15,17-18,21,26,33-34H,1-5,7-8,10H2,(H2,23,24,25)(H2,27,28,35)/t12?,13-,14+,15?,17-,18-,21-/m1/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92384
(Biotin triazole, 15)Show SMILES O=C1NC2CS[C@@H](CCCCCc3cn(CCCOc4ccc5ccccc5c4)nn3)C2N1 |r| Show InChI InChI=1S/C25H31N5O2S/c31-25-26-22-17-33-23(24(22)27-25)10-3-1-2-9-20-16-30(29-28-20)13-6-14-32-21-12-11-18-7-4-5-8-19(18)15-21/h4-5,7-8,11-12,15-16,22-24H,1-3,6,9-10,13-14,17H2,(H2,26,27,31)/t22?,23-,24?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92379
(Biotin triazole, 10)Show SMILES CC(C)(C)C(=O)OCCn1cc(CCCCC[C@@H]2SCC3NC(=O)NC23)nn1 |r| Show InChI InChI=1S/C19H31N5O3S/c1-19(2,3)17(25)27-10-9-24-11-13(22-23-24)7-5-4-6-8-15-16-14(12-28-15)20-18(26)21-16/h11,14-16H,4-10,12H2,1-3H3,(H2,20,21,26)/t14?,15-,16?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92385
(Biotin triazole, 16)Show SMILES Cc1ccc2oc(=O)n(CCCn3cc(COCCC[C@@H]4SCC5NC(=O)NC45)nn3)c2c1 |r| Show InChI InChI=1S/C22H28N6O4S/c1-14-5-6-18-17(10-14)28(22(30)32-18)8-3-7-27-11-15(25-26-27)12-31-9-2-4-19-20-16(13-33-19)23-21(29)24-20/h5-6,10-11,16,19-20H,2-4,7-9,12-13H2,1H3,(H2,23,24,29)/t16?,19-,20?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92381
(Biotin triazole, 12)Show SMILES O=C1NC2CS[C@@H](CCCCCc3cn(CCCCOc4cccc5ccccc45)nn3)C2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-22-18-34-24(25(22)28-26)14-3-1-2-11-20-17-31(30-29-20)15-6-7-16-33-23-13-8-10-19-9-4-5-12-21(19)23/h4-5,8-10,12-13,17,22,24-25H,1-3,6-7,11,14-16,18H2,(H2,27,28,32)/t22?,24-,25?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
Bifunctional ligase/repressor BirA
(Staphylococcus aureus) | BDBM92380
(Biotin triazole, 11)Show SMILES O=C1NC2CS[C@@H](CCCCCc3cn(CCCCOc4ccccc4)nn3)C2N1 |r| Show InChI InChI=1S/C22H31N5O2S/c28-22-23-19-16-30-20(21(19)24-22)12-6-1-3-9-17-15-27(26-25-17)13-7-8-14-29-18-10-4-2-5-11-18/h2,4-5,10-11,15,19-21H,1,3,6-9,12-14,16H2,(H2,23,24,28)/t19?,20-,21?/m0/s1 | PDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide
| Assay Description
In vitro enzyme inhibition using biotin protein ligase. |
J Biol Chem 287: 17823-32 (2012)
Article DOI: 10.1074/jbc.M112.356576
BindingDB Entry DOI: 10.7270/Q2DJ5D7V |
More data for this
Ligand-Target Pair | |
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