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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Enoyl-(Acyl-carrier-protein) reductase II'   
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
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464590
PNG
(CHEMBL4291530)
Show SMILES Cc1nccn1CCCCCCCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C21H26N2O3/c1-17-22-12-14-23(17)13-6-4-2-3-5-7-15-25-19-10-8-18-9-11-21(24)26-20(18)16-19/h8-12,14,16H,2-7,13,15H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464588
PNG
(CHEMBL4283591)
Show SMILES Cc1cn(CCCCCCCCOc2ccc3ccc(=O)oc3c2)cn1
Show InChI InChI=1S/C21H26N2O3/c1-17-15-23(16-22-17)12-6-4-2-3-5-7-13-25-19-10-8-18-9-11-21(24)26-20(18)14-19/h8-11,14-16H,2-7,12-13H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464592
PNG
(CHEMBL4291929)
Show SMILES O=c1ccc2ccc(OCCCCCCCCn3ccnc3)cc2o1
Show InChI InChI=1S/C20H24N2O3/c23-20-10-8-17-7-9-18(15-19(17)25-20)24-14-6-4-2-1-3-5-12-22-13-11-21-16-22/h7-11,13,15-16H,1-6,12,14H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.74E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464586
PNG
(CHEMBL4285154)
Show SMILES Cc1nccn1CCCCCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22N2O3/c1-15-20-10-12-21(15)11-4-2-3-5-13-23-17-8-6-16-7-9-19(22)24-18(16)14-17/h6-10,12,14H,2-5,11,13H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.44E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464587
PNG
(CHEMBL4294180)
Show SMILES Cc1cn(CCCCCCOc2ccc3ccc(=O)oc3c2)cn1
Show InChI InChI=1S/C19H22N2O3/c1-15-13-21(14-20-15)10-4-2-3-5-11-23-17-8-6-16-7-9-19(22)24-18(16)12-17/h6-9,12-14H,2-5,10-11H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.59E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464584
PNG
(CHEMBL4283662)
Show SMILES Cc1nccn1CCCCCCCCCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C23H30N2O3/c1-19-24-14-16-25(19)15-8-6-4-2-3-5-7-9-17-27-21-12-10-20-11-13-23(26)28-22(20)18-21/h10-14,16,18H,2-9,15,17H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.21E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464589
PNG
(CHEMBL4290781)
Show SMILES Cc1cn(CCCCCCCCCCOc2ccc3ccc(=O)oc3c2)cn1
Show InChI InChI=1S/C23H30N2O3/c1-19-17-25(18-24-19)14-8-6-4-2-3-5-7-9-15-27-21-12-10-20-11-13-23(26)28-22(20)16-21/h10-13,16-18H,2-9,14-15H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.37E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464585
PNG
(CHEMBL4289607)
Show SMILES O=c1ccc2ccc(OCCCCCCCCCCn3ccnc3)cc2o1
Show InChI InChI=1S/C22H28N2O3/c25-22-12-10-19-9-11-20(17-21(19)27-22)26-16-8-6-4-2-1-3-5-7-14-24-15-13-23-18-24/h9-13,15,17-18H,1-8,14,16H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.03E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464591
PNG
(CHEMBL4280270)
Show SMILES O=c1ccc2ccc(OCCCCCCCCn3cncn3)cc2o1
Show InChI InChI=1S/C19H23N3O3/c23-19-10-8-16-7-9-17(13-18(16)25-19)24-12-6-4-2-1-3-5-11-22-15-20-14-21-22/h7-10,13-15H,1-6,11-12H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.68E+3n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair
Enoyl-(Acyl-carrier-protein) reductase II


(Streptococcus agalactiae serotype V (strain ATCC B...)
BDBM50464583
PNG
(CHEMBL4292988)
Show SMILES Cc1nccn1CCCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C17H18N2O3/c1-13-18-8-10-19(13)9-2-3-11-21-15-6-4-14-5-7-17(20)22-16(14)12-15/h4-8,10,12H,2-3,9,11H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.56E+5n/an/an/an/an/an/a



Northwest A&F University

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis


Eur J Med Chem 143: 958-969 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.100
BindingDB Entry DOI: 10.7270/Q2HX1GCP
More data for this
Ligand-Target Pair