Found 6 hits of ki for UniProtKB: P39045 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 |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337102
((S)-1-(2-(Diphenylmethyl)benzamido)ethaneboronate ...)Show SMILES C[C@@H](NC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)B(O)O |r| Show InChI InChI=1S/C22H22BNO3/c1-16(23(26)27)24-22(25)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,26-27H,1H3,(H,24,25)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
More data for this Ligand-Target Pair | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337101
((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...)Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r| Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
More data for this Ligand-Target Pair | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50385268
(CHEMBL2035292)Show InChI InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Li£ge
Curated by ChEMBL
| Assay Description Binding affinity to Actinomadura sp. R39 PBP |
Bioorg Med Chem 20: 3915-24 (2012)
Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N |
More data for this Ligand-Target Pair | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50385267
(CHEMBL2035284)Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Li£ge
Curated by ChEMBL
| Assay Description Binding affinity to Actinomadura sp. R39 PBP |
Bioorg Med Chem 20: 3915-24 (2012)
Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50385263
(CHEMBL2035289)Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Li£ge
Curated by ChEMBL
| Assay Description Binding affinity to Actinomadura sp. R39 PBP |
Bioorg Med Chem 20: 3915-24 (2012)
Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM39809
(Acylglycineboronic acid, 6)Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Li£ge
Curated by ChEMBL
| Assay Description Binding affinity to Actinomadura sp. R39 PBP |
Bioorg Med Chem 20: 3915-24 (2012)
Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |