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Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Found 24 hits affinity hit(s) for enzyme = Enoyl-ACP Reductase (FabI) with UniProtKB: P44432
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
indole naphthyridinone 31
JPEG
((2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-meth...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a25.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
indole naphthyridinone 32
JPEG
((2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naph...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a70.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
indole naphthyridinone 30
JPEG
((2E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a130.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
indole naphthyridinone 29
JPEG
((2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a390.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
indole naphthyridinone 21
JPEG
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a560.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
Acetamido deriv. 12
JPEG
((2E)-3-(6-acetamidopyridin-3-yl)-N-methyl-N-[(1-me...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a1300.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
1,4-Benzodiazepine deriv. 4
JPEG
(N,4-Dimethyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-ox...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a2500.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
benzamide deriv. 7
JPEG
(4-Amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a2600.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
Piperidine 11
JPEG
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a2700.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyridine deriv. 9
JPEG
((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a4200.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyridine deriv. 9
JPEG
((2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a4200.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyrimidine deriv. 10
JPEG
((2E)-3-(2-aminopyrimidin-5-yl)-N-methyl-N-[(1-meth...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a4300.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
benzamide deriv. 5
JPEG
(3-[(N-Acetyl-N-methylamino)methyl]-4-amino-N-methy...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
PDB
PubChem
PubMed
n/an/a4700.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
1,4-Benzodiazepine deriv. 2
JPEG
((2R)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a5100.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyridine 5
JPEG
((2E)-3-(6-amino-5-methylpyridin-3-yl)-N-methyl-N-[...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a6100.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
1,4-Benzodiazepine deriv. 1
JPEG
(methyl 2-(4-methyl-7-{methyl[(1-methyl-1H-indol-2-...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a6900.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
Acetamido deriv. 13
JPEG
((2E)-3-(6-acetamido-5-methylpyridin-3-yl)-N-methyl...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a7600.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 46: 1627-35 (2003)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
acrylamide deriv. 13
JPEG
((2E)-3-(4-aminophenyl)-N-methyl-N-[(1-methyl-1H-in...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a9000.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyridine deriv. 14
JPEG
((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a15200.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyridine deriv. 12
JPEG
(6-Amino-N-methyl-N-(1-methyl-1H-indol-2-yl)nicotin...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a19200.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
aminopyridine deriv. 11
JPEG
(3-(6-Aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-i...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a97400.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
benzamide deriv. 8
JPEG
(N-Methyl-N-(1-methyl-1H-indol-2-ylmethyl)benzamide...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a>100000.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
1,4-Benzodiazepine deriv. 3
JPEG
((2S)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a>100000.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

Enoyl-ACP Reductase (FabI)


Haemophilus influenzae
benzamide deriv. 6
JPEG
(3-[(N-Acetyl-N-methylamino)methyl]-N-methyl-N-(1-m...)
GoogleScholar
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a121000.0n/an/a6.530


GlaxoSmithKline



J Med Chem. 45: 3246-56 (2002)

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