BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'aeschlimann' and Initial = 'j'   
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
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210929
PNG
(UCP1172)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210932
PNG
(UCP1191)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210931
PNG
(UCP1175)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210927
PNG
(UCP1039)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(c1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c1-4-18-16(21(23)27-22(24)26-18)7-5-6-14-12-17(15-8-10-25-11-9-15)20(29-3)19(13-14)28-2/h8-13H,4,6H2,1-3H3,(H4,23,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210930
PNG
(UCP1173)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210934
PNG
(UCP1206)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210933
PNG
(UCP1205)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210927
PNG
(UCP1039)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(c1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c1-4-18-16(21(23)27-22(24)26-18)7-5-6-14-12-17(15-8-10-25-11-9-15)20(29-3)19(13-14)28-2/h8-13H,4,6H2,1-3H3,(H4,23,24,26,27)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210929
PNG
(UCP1172)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM210928
PNG
(UCP1164)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-20-18(22(25)28-24(26)27-20)11-5-14(2)19-13-17(10-12-21(19)31-3)15-6-8-16(9-7-15)23(29)30/h6-10,12-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210932
PNG
(UCP1191)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210934
PNG
(UCP1206)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210928
PNG
(UCP1164)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-20-18(22(25)28-24(26)27-20)11-5-14(2)19-13-17(10-12-21(19)31-3)15-6-8-16(9-7-15)23(29)30/h6-10,12-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210932
PNG
(UCP1191)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210930
PNG
(UCP1173)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210933
PNG
(UCP1205)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210933
PNG
(UCP1205)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 159n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM210931
PNG
(UCP1175)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210934
PNG
(UCP1206)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210934
PNG
(UCP1206)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210930
PNG
(UCP1173)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210929
PNG
(UCP1172)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210930
PNG
(UCP1173)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210932
PNG
(UCP1191)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210933
PNG
(UCP1205)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc2OCOc2c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-3-19-17(22(25)28-24(26)27-19)9-4-13(2)16-10-18(21-20(11-16)31-12-32-21)14-5-7-15(8-6-14)23(29)30/h5-8,10-11,13H,3,12H2,1-2H3,(H,29,30)(H4,25,26,27,28)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210927
PNG
(UCP1039)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(c1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c1-4-18-16(21(23)27-22(24)26-18)7-5-6-14-12-17(15-8-10-25-11-9-15)20(29-3)19(13-14)28-2/h8-13H,4,6H2,1-3H3,(H4,23,24,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210929
PNG
(UCP1172)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210927
PNG
(UCP1039)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(c1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c1-4-18-16(21(23)27-22(24)26-18)7-5-6-14-12-17(15-8-10-25-11-9-15)20(29-3)19(13-14)28-2/h8-13H,4,6H2,1-3H3,(H4,23,24,26,27)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210931
PNG
(UCP1175)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 980n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210931
PNG
(UCP1175)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM210928
PNG
(UCP1164)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-20-18(22(25)28-24(26)27-20)11-5-14(2)19-13-17(10-12-21(19)31-3)15-6-8-16(9-7-15)23(29)30/h6-10,12-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM210928
PNG
(UCP1164)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-20-18(22(25)28-24(26)27-20)11-5-14(2)19-13-17(10-12-21(19)31-3)15-6-8-16(9-7-15)23(29)30/h6-10,12-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrA)


(Staphylococcus aureus)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DfrK)


(Staphylococcus aureus)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DfrG)


(Staphylococcus aureus)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80E+5n/an/an/an/an/an/a



University of Connecticut



Assay Description
IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).


Cell Chem Biol 23: 1458-1467 (2016)


Article DOI: 10.1016/j.chembiol.2016.11.007
BindingDB Entry DOI: 10.7270/Q2NP2380
More data for this
Ligand-Target Pair