Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50048670 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)) | BDBM50405088
(CHEMBL31004)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CSc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-10-8-13(9-11-14)12-24-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405074
(CHEMBL34627)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)C(N)=O)cc1 |t:3,6| Show InChI InChI=1S/C19H22N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-7-9-15(10-8-14)27-11-12-3-5-13(6-4-12)16(20)26/h3-10H,11H2,1-2H3,(H2,20,26)(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405052
(CHEMBL283916)Show SMILES Cc1cccc(SCc2ccc(cc2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20| Show InChI InChI=1S/C19H23N5S/c1-13-5-4-6-16(11-13)25-12-14-7-9-15(10-8-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405070
(CHEMBL30681)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)S(N)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C18H22N6O3S/c1-18(2)23-16(19)22-17(20)24(18)13-5-7-14(8-6-13)27-11-12-3-9-15(10-4-12)28(21,25)26/h3-10H,11H2,1-2H3,(H2,21,25,26)(H4,19,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405102
(CHEMBL30475)Show SMILES Cc1ccccc1SCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:19,22| Show InChI InChI=1S/C19H23N5S/c1-13-6-4-5-7-16(13)25-12-14-8-10-15(11-9-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405072
(CHEMBL33010)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(CO)cc2)cc1 |t:3,6| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-9-16(10-8-15)26-12-14-5-3-13(11-25)4-6-14/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405055
(CHEMBL283173)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405049
(CHEMBL285019)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccc(Cl)cc2)cc1 |t:3,6| Show InChI InChI=1S/C18H20ClN5S/c1-18(2)23-16(20)22-17(21)24(18)14-7-9-15(10-8-14)25-11-12-3-5-13(19)6-4-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405043
(1-(4-(Benzyloxy)phenyl)-6,6-dimethyl-1,6-dihydro-1...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405073
(CHEMBL33014)Show SMILES CCCCCCCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:18,21| Show InChI InChI=1S/C20H33N5/c1-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)25-19(22)23-18(21)24-20(25,2)3/h12-15H,4-11H2,1-3H3,(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405054
(CHEMBL7035)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)12-4-6-13(7-5-12)26-10-11-3-8-14(19)15(20)9-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405046
(CHEMBL6962)Show SMILES CCCCc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-4-5-6-11-7-9-12(10-8-11)20-14(17)18-13(16)19-15(20,2)3/h7-10H,4-6H2,1-3H3,(H4,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50090050
(1-(4-Fluoro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...)Show InChI InChI=1S/C11H14FN5/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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405051
(CHEMBL33389)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOc2ccc(N)cc2)cc1 |t:3,6| Show InChI InChI=1S/C19H24N6O2/c1-19(2)24-17(21)23-18(22)25(19)14-5-9-16(10-6-14)27-12-11-26-15-7-3-13(20)4-8-15/h3-10H,11-12,20H2,1-2H3,(H4,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405100
(CHEMBL32304)Show SMILES CCCCCCCCCCCCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:22,25| Show InChI InChI=1S/C23H39N5O/c1-4-5-6-7-8-9-10-11-12-13-18-29-20-16-14-19(15-17-20)28-22(25)26-21(24)27-23(28,2)3/h14-17H,4-13,18H2,1-3H3,(H4,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50090067
(6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...)Show InChI InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50090075
(1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5...)Show InChI InChI=1S/C11H14BrN5/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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405075
(CHEMBL34794)Show SMILES CCCCCCCCCCCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:21,24| Show InChI InChI=1S/C22H37N5O/c1-4-5-6-7-8-9-10-11-12-17-28-19-15-13-18(14-16-19)27-21(24)25-20(23)26-22(27,2)3/h13-16H,4-12,17H2,1-3H3,(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
| PubMed
| 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405057
(CHEMBL6661)Show SMILES CC(C)(C)c1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-6-8-11(9-7-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405098
(CHEMBL30370)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCOCC2)cc1 |t:3,6| Show InChI InChI=1S/C17H24N6O3/c1-17(2)21-15(18)20-16(19)23(17)12-3-5-13(6-4-12)26-11-14(24)22-7-9-25-10-8-22/h3-6H,7-11H2,1-2H3,(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
| PubMed
| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405063
(CHEMBL427826)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)C(F)(F)F |t:3,6| Show InChI InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-7(4-6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405045
(CHEMBL34680)Show SMILES CCCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C14H21N5O/c1-4-9-20-11-7-5-10(6-8-11)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405062
(CHEMBL33677)Show SMILES CCCCCCOc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:16,19| Show InChI InChI=1S/C17H27N5O/c1-4-5-6-7-12-23-14-10-8-13(9-11-14)22-16(19)20-15(18)21-17(22,2)3/h8-11H,4-7,12H2,1-3H3,(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
| PubMed
| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405048
(CHEMBL7341)Show InChI InChI=1S/C11H14IN5/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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405047
(CHEMBL284157)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)C#Cc1ccccc1 |t:3,6| Show InChI InChI=1S/C19H19N5/c1-19(2)23-17(20)22-18(21)24(19)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,1-2H3,(H4,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405077
(CHEMBL33499)Show InChI InChI=1S/C11H16N6/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,12H2,1-2H3,(H4,13,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405081
(CHEMBL34158)Show InChI InChI=1S/C11H15N5O/c1-11(2)15-9(12)14-10(13)16(11)7-3-5-8(17)6-4-7/h3-6,17H,1-2H3,(H4,12,13,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405064
(CHEMBL269018)Show SMILES CC(=O)c1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:12,15| Show InChI InChI=1S/C13H17N5O/c1-8(19)9-4-6-10(7-5-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405060
(CHEMBL30837)Show SMILES CC(=O)Nc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C13H18N6O/c1-8(20)16-9-4-6-10(7-5-9)19-12(15)17-11(14)18-13(19,2)3/h4-7H,1-3H3,(H,16,20)(H4,14,15,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405080
(CHEMBL32652)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)S(C)(=O)=O |t:3,6| Show InChI InChI=1S/C12H17N5O2S/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(7-5-8)20(3,18)19/h4-7H,1-3H3,(H4,13,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405061
(CHEMBL6836)Show SMILES COC(=O)c1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C13H17N5O2/c1-13(2)17-11(14)16-12(15)18(13)9-6-4-8(5-7-9)10(19)20-3/h4-7H,1-3H3,(H4,14,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405086
(CHEMBL428478)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-3-5-8(6-4-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405044
(CHEMBL33571)Show InChI InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-8(7-13)4-6-9/h3-6H,1-2H3,(H4,14,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405053
(CHEMBL284553)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-7(4-6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50405079
(CHEMBL6613)Show SMILES CCOC(=O)c1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:14,17| Show InChI InChI=1S/C14H19N5O2/c1-4-21-11(20)9-5-7-10(8-6-9)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4H2,1-3H3,(H4,15,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) |
J Med Chem 27: 144-9 (1984)
BindingDB Entry DOI: 10.7270/Q28K7C96 |
More data for this
Ligand-Target Pair | |
Search and Browse
