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Compile Data Set for Download or QSAR

Found 15 hits of ic50 data for polymerid = 50000692   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528527
PNG
(CHEMBL4466052)
Show SMILES COc1ccc(cn1)-c1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N
Show InChI InChI=1S/C19H15ClN6O/c1-27-15-6-5-10(8-23-15)12-3-2-4-14(20)16(12)13-7-11-9-24-19(22)26-18(11)25-17(13)21/h2-9H,1H3,(H4,21,22,24,25,26)
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n/an/a 32n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528526
PNG
(CHEMBL4518489)
Show SMILES N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H16Cl2N6/c19-12-2-1-3-13(20)14(12)9-4-8-5-23-18(22)25-16(8)24-17(9)26-6-10-11(7-26)15(10)21/h1-5,10-11,15H,6-7,21H2,(H2,22,23,24,25)/t10-,11+,15+
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n/an/a 33n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528519
PNG
(CHEMBL4530311)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1-c1cccnc1
Show InChI InChI=1S/C18H13ClN6/c19-14-5-1-4-12(10-3-2-6-22-8-10)15(14)13-7-11-9-23-18(21)25-17(11)24-16(13)20/h1-9H,(H4,20,21,23,24,25)
PDB
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UniChem
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n/an/a 36n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528516
PNG
(CHEMBL4459017)
Show SMILES NCC1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H18Cl2N6/c19-13-2-1-3-14(20)15(13)12-6-11-8-23-18(22)25-16(11)24-17(12)26-5-4-10(7-21)9-26/h1-3,6,8,10H,4-5,7,9,21H2,(H2,22,23,24,25)
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n/an/a 64n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528524
PNG
(CHEMBL4450292)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H15N5/c20-17-16(10-13-11-22-19(21)24-18(13)23-17)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H4,20,21,22,23,24)
PDB
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UniChem
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n/an/a 79n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528522
PNG
(CHEMBL4563086)
Show SMILES NCC1(O)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H18Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-17(22)25-15(10)24-16(11)26-5-4-18(27,8-21)9-26/h1-3,6-7,27H,4-5,8-9,21H2,(H2,22,23,24,25)
PDB
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n/an/a 83n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528520
PNG
(CHEMBL4445287)
Show SMILES CC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N
Show InChI InChI=1S/C17H18ClN5O/c1-9(2)8-24-13-5-3-4-12(18)14(13)11-6-10-7-21-17(20)23-16(10)22-15(11)19/h3-7,9H,8H2,1-2H3,(H4,19,20,21,22,23)
PDB
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UniProtKB/SwissProt

B.MOAD
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UniChem
Article
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n/an/a 93n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528518
PNG
(CHEMBL4551132)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1ccccc1-c1cccnc1
Show InChI InChI=1S/C18H14N6/c19-16-15(8-12-10-22-18(20)24-17(12)23-16)14-6-2-1-5-13(14)11-4-3-7-21-9-11/h1-10H,(H4,19,20,22,23,24)
PDB
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UniChem
Article
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n/an/a 130n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528523
PNG
(CHEMBL4564355)
Show SMILES Nc1ncc2cc(c(nc2n1)N1CCC(CO)C1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H17Cl2N5O/c19-13-2-1-3-14(20)15(13)12-6-11-7-22-18(21)24-16(11)23-17(12)25-5-4-10(8-25)9-26/h1-3,6-7,10,26H,4-5,8-9H2,(H2,21,22,23,24)
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UniChem
Article
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n/an/a 140n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528515
PNG
(CHEMBL4582507)
Show SMILES NC(=O)C1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H16Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-18(22)25-16(10)24-17(11)26-5-4-9(8-26)15(21)27/h1-3,6-7,9H,4-5,8H2,(H2,21,27)(H2,22,23,24,25)
PDB
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UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM3436
PNG
(6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br
Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
PDB
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Patents


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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528525
PNG
(CHEMBL4440951)
Show SMILES Nc1ncc2cc(c(nc2n1)N1CCC(N)(CO)C1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H18Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-17(21)25-15(10)24-16(11)26-5-4-18(22,8-26)9-27/h1-3,6-7,27H,4-5,8-9,22H2,(H2,21,23,24,25)
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528517
PNG
(CHEMBL4464608)
Show SMILES NCC1CCN(CC1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-10-24-19(23)26-17(12)25-18(13)27-6-4-11(9-22)5-7-27/h1-3,8,10-11H,4-7,9,22H2,(H2,23,24,25,26)
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM3429
PNG
(6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-...)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
BDBM50528521
PNG
(CHEMBL4520904)
Show SMILES NCC1(F)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H17Cl2FN6/c19-12-2-1-3-13(20)14(12)11-6-10-7-24-17(23)26-15(10)25-16(11)27-5-4-18(21,8-22)9-27/h1-3,6-7H,4-5,8-9,22H2,(H2,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...


J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
More data for this
Ligand-Target Pair