BindingDB logo
myBDB logout

PubMed code 23375226

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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


(Candida albicans)
BDBM50429695
PNG
(CHEMBL2335421)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1cccc2cnccc12
Show InChI InChI=1S/C26H25N5O/c1-4-24-23(25(27)31-26(28)30-24)9-8-16(2)18-12-19(14-20(13-18)32-3)21-7-5-6-17-15-29-11-10-22(17)21/h5-7,10-16H,4H2,1-3H3,(H4,27,28,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50429700
PNG
(CHEMBL2335416)
Show SMILES COc1cc(cc(c1)N1CCOCC1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C20H25N5O2/c1-13(4-5-18-14(2)23-20(22)24-19(18)21)15-10-16(12-17(11-15)26-3)25-6-8-27-9-7-25/h10-13H,6-9H2,1-3H3,(H4,21,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM50429693
PNG
(CHEMBL2335423)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C25H26N4O3/c1-4-21-20(24(26)29-25(27)28-21)7-5-15(2)17-11-18(13-19(12-17)30-3)16-6-8-22-23(14-16)32-10-9-31-22/h6,8,11-15H,4,9-10H2,1-3H3,(H4,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50429699
PNG
(CHEMBL2335417)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O2/c1-4-19-18(20(22)25-21(23)24-19)6-5-14(2)15-11-16(13-17(12-15)27-3)26-7-9-28-10-8-26/h11-14H,4,7-10H2,1-3H3,(H4,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

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



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50329608
PNG
(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429695
PNG
(CHEMBL2335421)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1cccc2cnccc12
Show InChI InChI=1S/C26H25N5O/c1-4-24-23(25(27)31-26(28)30-24)9-8-16(2)18-12-19(14-20(13-18)32-3)21-7-5-6-17-15-29-11-10-22(17)21/h5-7,10-16H,4H2,1-3H3,(H4,27,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429696
PNG
(CHEMBL2335420)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1cccc2cnccc12
Show InChI InChI=1S/C25H23N5O/c1-3-23-22(24(26)30-25(27)29-23)9-4-6-16-12-18(14-19(13-16)31-2)20-8-5-7-17-15-28-11-10-21(17)20/h5,7-8,10-15H,3,6H2,1-2H3,(H4,26,27,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM50429697
PNG
(CHEMBL2335419)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM50429698
PNG
(CHEMBL2335418)
Show SMILES COc1cc(cc(c1)-c1ccncc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C21H21N5O/c1-13(4-5-19-14(2)25-21(23)26-20(19)22)16-10-17(12-18(11-16)27-3)15-6-8-24-9-7-15/h6-13H,1-3H3,(H4,22,23,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50429696
PNG
(CHEMBL2335420)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1cccc2cnccc12
Show InChI InChI=1S/C25H23N5O/c1-3-23-22(24(26)30-25(27)29-23)9-4-6-16-12-18(14-19(13-16)31-2)20-8-5-7-17-15-28-11-10-21(17)20/h5,7-8,10-15H,3,6H2,1-2H3,(H4,26,27,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50429694
PNG
(CHEMBL2335422)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H24N4O3/c1-3-20-19(23(25)28-24(26)27-20)6-4-5-15-11-17(13-18(12-15)29-2)16-7-8-21-22(14-16)31-10-9-30-21/h7-8,11-14H,3,5,9-10H2,1-2H3,(H4,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM26519
PNG
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC
Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429694
PNG
(CHEMBL2335422)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H24N4O3/c1-3-20-19(23(25)28-24(26)27-20)6-4-5-15-11-17(13-18(12-15)29-2)16-7-8-21-22(14-16)31-10-9-30-21/h7-8,11-14H,3,5,9-10H2,1-2H3,(H4,25,26,27,28)
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/an/a 140n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429699
PNG
(CHEMBL2335417)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O2/c1-4-19-18(20(22)25-21(23)24-19)6-5-14(2)15-11-16(13-17(12-15)27-3)26-7-9-28-10-8-26/h11-14H,4,7-10H2,1-3H3,(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
PDB
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429693
PNG
(CHEMBL2335423)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C25H26N4O3/c1-4-21-20(24(26)29-25(27)28-21)7-5-15(2)17-11-18(13-19(12-17)30-3)16-6-8-22-23(14-16)32-10-9-31-22/h6,8,11-15H,4,9-10H2,1-3H3,(H4,26,27,28,29)
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/an/a 260n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50329608
PNG
(6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but...)
Show SMILES COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)
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/an/a 290n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429700
PNG
(CHEMBL2335416)
Show SMILES COc1cc(cc(c1)N1CCOCC1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C20H25N5O2/c1-13(4-5-18-14(2)23-20(22)24-19(18)21)15-10-16(12-17(11-15)26-3)25-6-8-27-9-7-25/h10-13H,6-9H2,1-3H3,(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

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM26519
PNG
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylp...)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC
Show InChI InChI=1S/C17H20N4O2/c1-4-14-13(16(18)21-17(19)20-14)7-5-6-11-10-12(22-2)8-9-15(11)23-3/h8-10H,4,6H2,1-3H3,(H4,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.28E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429697
PNG
(CHEMBL2335419)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O/c1-4-20-19(21(23)27-22(24)26-20)6-5-14(2)16-11-17(13-18(12-16)28-3)15-7-9-25-10-8-15/h7-14H,4H2,1-3H3,(H4,23,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(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
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50429698
PNG
(CHEMBL2335418)
Show SMILES COc1cc(cc(c1)-c1ccncc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C21H21N5O/c1-13(4-5-19-14(2)25-21(23)26-20(19)22)16-10-17(12-18(11-16)27-3)15-6-8-24-9-7-15/h6-13H,1-3H3,(H4,22,23,25,26)
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/an/a 1.50E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 23: 1279-84 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.008
BindingDB Entry DOI: 10.7270/Q2RV0Q2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%