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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'selleck' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Metallo-beta-lactamase AIM-1


(Pseudomonas aeruginosa)
BDBM50270748
PNG
(CHEMBL4125968)
Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H23N3O/c32-21-27-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)34(22-23-13-5-1-6-14-23)30(27)33-31(35)26-19-11-4-12-20-26/h1-20H,22H2,(H,33,35)
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas aeruginosa recombinant AIM1 expressed in Escherichia coli BL21(DE3) using cefuroxime as substrate by UV/Vis mul...


Eur J Med Chem 137: 351-364 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.061
BindingDB Entry DOI: 10.7270/Q2R213WD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase AIM-1


(Pseudomonas aeruginosa)
BDBM50270747
PNG
(CHEMBL1172302)
Show SMILES Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H19N3/c25-16-21-22(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)27(24(21)26)17-18-10-4-1-5-11-18/h1-15H,17,26H2
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UniProtKB/TrEMBL

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PubMed
2.20E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas aeruginosa recombinant AIM1 expressed in Escherichia coli BL21(DE3) using cefuroxime as substrate by UV/Vis mul...


Eur J Med Chem 137: 351-364 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.061
BindingDB Entry DOI: 10.7270/Q2R213WD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase AIM-1


(Pseudomonas aeruginosa)
BDBM50270749
PNG
(CHEMBL4128183)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H22N4O3/c32-20-27-28(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(21-22-10-4-1-5-11-22)30(27)33-31(36)25-16-18-26(19-17-25)35(37)38/h1-19H,21H2,(H,33,36)
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UniProtKB/TrEMBL

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PubMed
1.09E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of Pseudomonas aeruginosa recombinant AIM1 expressed in Escherichia coli BL21(DE3) using cefuroxime as substrate by UV/Vis mul...


Eur J Med Chem 137: 351-364 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.061
BindingDB Entry DOI: 10.7270/Q2R213WD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50270748
PNG
(CHEMBL4125968)
Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H23N3O/c32-21-27-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)34(22-23-13-5-1-6-14-23)30(27)33-31(35)26-19-11-4-12-20-26/h1-20H,22H2,(H,33,35)
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PubMed
1.10E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...


Eur J Med Chem 137: 351-364 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.061
BindingDB Entry DOI: 10.7270/Q2R213WD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50270747
PNG
(CHEMBL1172302)
Show SMILES Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H19N3/c25-16-21-22(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)27(24(21)26)17-18-10-4-1-5-11-18/h1-15H,17,26H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
5.20E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...


Eur J Med Chem 137: 351-364 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.061
BindingDB Entry DOI: 10.7270/Q2R213WD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50270755
PNG
(CHEMBL4126112)
Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C38H27N3O2/c39-25-33-34(28-15-7-2-8-16-28)35(29-17-9-3-10-18-29)41(26-27-13-5-1-6-14-27)37(33)40-38(43)32-23-21-31(22-24-32)36(42)30-19-11-4-12-20-30/h1-24H,26H2,(H,40,43)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
8.72E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...


Eur J Med Chem 137: 351-364 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.061
BindingDB Entry DOI: 10.7270/Q2R213WD
More data for this
Ligand-Target Pair