Found 14 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 |
|---|
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)) | 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
| n/a | n/a | 80 | 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)) | BDBM50337094
((S)-1-(2-Fluoro-6-phenylbenzamido)ethaneboronic ac...)Show SMILES C[C@@H](NC(=O)c1c(F)cccc1-c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H15BFNO3/c1-10(16(20)21)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-21H,1H3,(H,18,19)/t10-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | 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)) | BDBM50337100
((S)-1-(2-[(Phenylsulfonyl)amino]benzamido)ethanebo...)Show SMILES C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H17BN2O5S/c1-11(16(20)21)17-15(19)13-9-5-6-10-14(13)18-24(22,23)12-7-3-2-4-8-12/h2-11,18,20-21H,1H3,(H,17,19)/t11-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 370 | 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)) | BDBM50337095
((S)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...)Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | 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)) | BDBM50337093
((S)-1-(2-Phenylbenzamido)ethaneboronic acid | CHEM...)Show InChI InChI=1S/C15H16BNO3/c1-11(16(19)20)17-15(18)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11,19-20H,1H3,(H,17,18)/t11-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.31E+3 | 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)) | BDBM50337092
((S)-1-(2-Benzylbenzamido)ethaneboronic acid | CHEM...)Show InChI InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | 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)) | BDBM50337091
((S)-1-(1-Benzothiophene-5-carboxamido)ethaneboroni...)Show InChI InChI=1S/C11H12BNO3S/c1-7(12(15)16)13-11(14)9-2-3-10-8(6-9)4-5-17-10/h2-7,15-16H,1H3,(H,13,14)/t7-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | 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)) | BDBM50337098
((R)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...)Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | 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)) | BDBM50337096
((S)-1-(2,6-Dichlorobenzamido)ethaneboronic acid | ...)Show InChI InChI=1S/C9H10BCl2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | 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)) | BDBM50337099
((R)-1-(2-Benzylbenzamido)ethaneboronic acid | CHEM...)Show InChI InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | 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)) | BDBM50337090
((S)-1-(Naphthalene-2-carboxamido)ethaneboronic aci...)Show InChI InChI=1S/C13H14BNO3/c1-9(14(17)18)15-13(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,17-18H,1H3,(H,15,16)/t9-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | 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)) | BDBM50337097
((S)-1-(2-(Propan-2-yl)benzamido)ethaneboronic acid...)Show InChI InChI=1S/C12H18BNO3/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16)17/h4-9,16-17H,1-3H3,(H,14,15)/t9-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+4 | 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 | |
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