Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dihydrofolate reductase
(Escherichia coli) | BDBM50498871
(CHEMBL97313)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(cc2)S(F)(=O)=O)c1 |t:3,6| Show InChI InChI=1S/C21H26FN5O2S/c1-21(2)26-19(23)25-20(24)27(21)17-9-5-8-16(14-17)7-4-3-6-15-10-12-18(13-11-15)30(22,28)29/h5,8-14H,3-4,6-7H2,1-2H3,(H4,23,24,25,26) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2F |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498871
(CHEMBL97313)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(cc2)S(F)(=O)=O)c1 |t:3,6| Show InChI InChI=1S/C21H26FN5O2S/c1-21(2)26-19(23)25-20(24)27(21)17-9-5-8-16(14-17)7-4-3-6-15-10-12-18(13-11-15)30(22,28)29/h5,8-14H,3-4,6-7H2,1-2H3,(H4,23,24,25,26) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498878
(CHEMBL97567)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(cc2)S(F)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C23H30FN5O2S/c1-23(2)28-21(25)27-22(26)29(23)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)32(24,30)31/h9-16H,3-8H2,1-2H3,(H4,25,26,27,28) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498878
(CHEMBL97567)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(cc2)S(F)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C23H30FN5O2S/c1-23(2)28-21(25)27-22(26)29(23)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)32(24,30)31/h9-16H,3-8H2,1-2H3,(H4,25,26,27,28) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2F |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498873
(CHEMBL94742)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-8-13-17(15-18)12-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,13-15H,6-7,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 359 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498873
(CHEMBL94742)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-8-13-17(15-18)12-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,13-15H,6-7,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 394 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2F |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498874
(CHEMBL1617293)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2F |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498874
(CHEMBL1617293)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291779
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show InChI InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 958 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18792
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50090051
(6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...)Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498877
(CHEMBL316611)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(=O)Nc1ccc(cc1)S(F)(=O)=O |t:3,6| Show InChI InChI=1S/C18H19FN6O3S/c1-18(2)24-16(20)23-17(21)25(18)13-5-3-4-11(10-13)15(26)22-12-6-8-14(9-7-12)29(19,27)28/h3-10H,1-2H3,(H,22,26)(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498877
(CHEMBL316611)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(=O)Nc1ccc(cc1)S(F)(=O)=O |t:3,6| Show InChI InChI=1S/C18H19FN6O3S/c1-18(2)24-16(20)23-17(21)25(18)13-5-3-4-11(10-13)15(26)22-12-6-8-14(9-7-12)29(19,27)28/h3-10H,1-2H3,(H,22,26)(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2F |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50405035
(CHEMBL266573)Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498872
(CHEMBL333873)Show SMILES CCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:12,15| Show InChI InChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3/h5-8H,4H2,1-3H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50031299
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498880
(CHEMBL1625056)Show InChI InChI=1S/C12H18N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498876
(CHEMBL3634634)Show InChI InChI=1S/C12H18N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-8(7-13)4-6-9/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498879
(CHEMBL1412044)Show SMILES NC1=NC(N(C(N)=N1)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:6,t:1| Show InChI InChI=1S/C15H15ClN6O2S/c16-10-3-1-9(2-4-10)13-20-14(17)21-15(18)22(13)11-5-7-12(8-6-11)25(19,23)24/h1-8,13H,(H2,19,23,24)(H4,17,18,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498871
(CHEMBL97313)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(cc2)S(F)(=O)=O)c1 |t:3,6| Show InChI InChI=1S/C21H26FN5O2S/c1-21(2)26-19(23)25-20(24)27(21)17-9-5-8-16(14-17)7-4-3-6-15-10-12-18(13-11-15)30(22,28)29/h5,8-14H,3-4,6-7H2,1-2H3,(H4,23,24,25,26) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498878
(CHEMBL97567)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(cc2)S(F)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C23H30FN5O2S/c1-23(2)28-21(25)27-22(26)29(23)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)32(24,30)31/h9-16H,3-8H2,1-2H3,(H4,25,26,27,28) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498873
(CHEMBL94742)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-8-13-17(15-18)12-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,13-15H,6-7,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498874
(CHEMBL1617293)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291779
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show InChI InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18792
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50090051
(6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...)Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498877
(CHEMBL316611)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(=O)Nc1ccc(cc1)S(F)(=O)=O |t:3,6| Show InChI InChI=1S/C18H19FN6O3S/c1-18(2)24-16(20)23-17(21)25(18)13-5-3-4-11(10-13)15(26)22-12-6-8-14(9-7-12)29(19,27)28/h3-10H,1-2H3,(H,22,26)(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50405035
(CHEMBL266573)Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498872
(CHEMBL333873)Show SMILES CCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:12,15| Show InChI InChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3/h5-8H,4H2,1-3H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50031299
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.49E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498880
(CHEMBL1625056)Show InChI InChI=1S/C12H18N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498876
(CHEMBL3634634)Show InChI InChI=1S/C12H18N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-8(7-13)4-6-9/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498879
(CHEMBL1412044)Show SMILES NC1=NC(N(C(N)=N1)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:6,t:1| Show InChI InChI=1S/C15H15ClN6O2S/c16-10-3-1-9(2-4-10)13-20-14(17)21-15(18)22(13)11-5-7-12(8-6-11)25(19,23)24/h1-8,13H,(H2,19,23,24)(H4,17,18,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.55E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DHFR assessed as NADP formation |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498878
(CHEMBL97567)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCCCc2ccc(cc2)S(F)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C23H30FN5O2S/c1-23(2)28-21(25)27-22(26)29(23)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)32(24,30)31/h9-16H,3-8H2,1-2H3,(H4,25,26,27,28) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 10 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18792
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498881
(CHEMBL589682 | SJ000034418)Show SMILES Cl.CN(C)c1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:12,15| Show InChI InChI=1S/C13H20N6/c1-13(2)17-11(14)16-12(15)19(13)10-7-5-9(6-8-10)18(3)4/h5-8H,1-4H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.85E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498871
(CHEMBL97313)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(cc2)S(F)(=O)=O)c1 |t:3,6| Show InChI InChI=1S/C21H26FN5O2S/c1-21(2)26-19(23)25-20(24)27(21)17-9-5-8-16(14-17)7-4-3-6-15-10-12-18(13-11-15)30(22,28)29/h5,8-14H,3-4,6-7H2,1-2H3,(H4,23,24,25,26) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.93E+3 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498873
(CHEMBL94742)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-8-13-17(15-18)12-7-6-11-16-9-4-3-5-10-16/h3-5,8-10,13-15H,6-7,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 10 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50405035
(CHEMBL266573)Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50090051
(6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...)Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.32E+3 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498877
(CHEMBL316611)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(=O)Nc1ccc(cc1)S(F)(=O)=O |t:3,6| Show InChI InChI=1S/C18H19FN6O3S/c1-18(2)24-16(20)23-17(21)25(18)13-5-3-4-11(10-13)15(26)22-12-6-8-14(9-7-12)29(19,27)28/h3-10H,1-2H3,(H,22,26)(H4,20,21,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498880
(CHEMBL1625056)Show InChI InChI=1S/C12H18N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498876
(CHEMBL3634634)Show InChI InChI=1S/C12H18N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-8(7-13)4-6-9/h3-6H,7,13H2,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498872
(CHEMBL333873)Show SMILES CCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:12,15| Show InChI InChI=1S/C13H19N5O/c1-4-19-10-7-5-9(6-8-10)18-12(15)16-11(14)17-13(18,2)3/h5-8H,4H2,1-3H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.45E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498874
(CHEMBL1617293)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.16E+3 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291779
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show InChI InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.74E+3 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498879
(CHEMBL1412044)Show SMILES NC1=NC(N(C(N)=N1)c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:6,t:1| Show InChI InChI=1S/C15H15ClN6O2S/c16-10-3-1-9(2-4-10)13-20-14(17)21-15(18)22(13)11-5-7-12(8-6-11)25(19,23)24/h1-8,13H,(H2,19,23,24)(H4,17,18,20,21) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50498875
(CHEMBL97830)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)cc2Cl)cc1 |t:3,6| Show InChI InChI=1S/C21H25Cl2N5/c1-21(2)27-19(24)26-20(25)28(21)17-11-7-14(8-12-17)5-3-4-6-15-9-10-16(22)13-18(15)23/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.26E+4 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry |
Eur J Med Chem 103: 600-14 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.021
BindingDB Entry DOI: 10.7270/Q2DR2ZGJ |
More data for this
Ligand-Target Pair | |
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