Found 14 hits with Last Name = 'burghes' and Initial = 'ah' 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
(Homo sapiens (Human)) | BDBM50232529
(5-(2-fluorobenzyloxy)quinazoline-2,4-diamine | CHE...)Show InChI InChI=1S/C15H13FN4O/c16-10-5-2-1-4-9(10)8-21-12-7-3-6-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232565
((S)-5-(1-(3-chlorophenyl)ethoxy)quinazoline-2,4-di...)Show InChI InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232535
(5-(1-(3-chlorophenyl)ethoxy)quinazoline-2,4-diamin...)Show SMILES CC(Oc1cccc2nc(N)nc(N)c12)c1cccc(Cl)c1 |w:1.0| Show InChI InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232534
(5-((2-fluorophenoxy)methyl)quinazoline-2,4-diamine...)Show InChI InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232589
(5-((3-chlorophenoxy)methyl)quinazoline-2,4-diamine...)Show InChI InChI=1S/C15H13ClN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50232538
(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232526
(5-((2,4-difluorophenoxy)methyl)quinazoline-2,4-dia...)Show InChI InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232527
(5-((1-(3-chlorobenzyl)piperidin-4-yl)methoxy)quina...)Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4)CC3)cccc2n1 Show InChI InChI=1S/C21H24ClN5O/c22-16-4-1-3-15(11-16)12-27-9-7-14(8-10-27)13-28-18-6-2-5-17-19(18)20(23)26-21(24)25-17/h1-6,11,14H,7-10,12-13H2,(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232566
(5-(3-chlorobenzyloxy)quinazoline-2,4-diamine | CHE...)Show InChI InChI=1S/C15H13ClN4O/c16-10-4-1-3-9(7-10)8-21-12-6-2-5-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232538
(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232571
((2-chlorophenyl)(4-((2,4-diaminoquinazolin-5-yloxy...)Show SMILES Nc1nc(N)c2c(OCC3CCN(CC3)C(=O)c3ccccc3Cl)cccc2n1 Show InChI InChI=1S/C21H22ClN5O2/c22-15-5-2-1-4-14(15)20(28)27-10-8-13(9-11-27)12-29-17-7-3-6-16-18(17)19(23)26-21(24)25-16/h1-7,13H,8-12H2,(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232541
((3-chlorophenyl)(4-((2,4-diaminoquinazolin-5-yloxy...)Show SMILES Nc1nc(N)c2c(OCC3CCN(CC3)C(=O)c3cccc(Cl)c3)cccc2n1 Show InChI InChI=1S/C21H22ClN5O2/c22-15-4-1-3-14(11-15)20(28)27-9-7-13(8-10-27)12-29-17-6-2-5-16-18(17)19(23)26-21(24)25-16/h1-6,11,13H,7-10,12H2,(H4,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50232561
(5-((1-(2-fluorophenylsulfonyl)piperidin-4-yl)metho...)Show SMILES Nc1nc(N)c2c(OCC3CCN(CC3)S(=O)(=O)c3ccccc3F)cccc2n1 Show InChI InChI=1S/C20H22FN5O3S/c21-14-4-1-2-7-17(14)30(27,28)26-10-8-13(9-11-26)12-29-16-6-3-5-15-18(16)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
deCODE Chemistry Inc
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHFR |
J Med Chem 51: 449-69 (2008)
Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD |
More data for this
Ligand-Target Pair | |
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