BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2221   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18229
PNG
(5-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)10-14-9-13(7-8-16(14)29-2)5-3-4-6-17(27)28/h7-9,11H,4,6,10H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0570n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18229
PNG
(5-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)10-14-9-13(7-8-16(14)29-2)5-3-4-6-17(27)28/h7-9,11H,4,6,10H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0970n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18228
PNG
(4-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(OCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(28-2)5-6-15(12)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.170n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18225
PNG
(2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(5-6-15(12)28-2)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18226
PNG
(2,4-diamino-5-deazapteridine, 5 | 5-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C21H25N5O4/c1-12-14(11-24-20-18(12)19(22)25-21(23)26-20)9-13-10-15(6-7-16(13)29-2)30-8-4-3-5-17(27)28/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18229
PNG
(5-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)10-14-9-13(7-8-16(14)29-2)5-3-4-6-17(27)28/h7-9,11H,4,6,10H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18228
PNG
(4-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(OCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(28-2)5-6-15(12)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18227
PNG
(2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18225
PNG
(2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(5-6-15(12)28-2)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.430n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18229
PNG
(5-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)10-14-9-13(7-8-16(14)29-2)5-3-4-6-17(27)28/h7-9,11H,4,6,10H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18237
PNG
(5-{2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#CCCC(O)=O)c1Br
Show InChI InChI=1S/C17H17BrN4O3/c1-25-13-8-10(7-12-9-21-17(20)22-16(12)19)6-11(15(13)18)4-2-3-5-14(23)24/h6,8-9H,3,5,7H2,1H3,(H,23,24)(H4,19,20,21,22)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.470n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18226
PNG
(2,4-diamino-5-deazapteridine, 5 | 5-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C21H25N5O4/c1-12-14(11-24-20-18(12)19(22)25-21(23)26-20)9-13-10-15(6-7-16(13)29-2)30-8-4-3-5-17(27)28/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.510n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18232
PNG
(5-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)9-14-10-16(29-2)8-7-13(14)5-3-4-6-17(27)28/h7-8,10-11H,4,6,9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18232
PNG
(5-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)9-14-10-16(29-2)8-7-13(14)5-3-4-6-17(27)28/h7-8,10-11H,4,6,9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.650n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18231
PNG
(2,4-diamino-5-deazapteridine, 2 | 7-[3-({2,4-diami...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
Show InChI InChI=1S/C23H25N5O3/c1-14-17(13-26-22-20(14)21(24)27-23(25)28-22)12-16-11-15(9-10-18(16)31-2)7-5-3-4-6-8-19(29)30/h9-11,13H,3-4,6,8,12H2,1-2H3,(H,29,30)(H4,24,25,26,27,28)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.690n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18243
PNG
(6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18223
PNG
(6-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4,5-dimet...)
Show SMILES COc1cc(cc(Cc2cnc(N)nc2N)c1OC)C#CCCCC(O)=O
Show InChI InChI=1S/C19H22N4O4/c1-26-15-9-12(6-4-3-5-7-16(24)25)8-13(17(15)27-2)10-14-11-22-19(21)23-18(14)20/h8-9,11H,3,5,7,10H2,1-2H3,(H,24,25)(H4,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18230
PNG
(2,4-diamino-5-deazapteridine, 10 | 6-[3-({2,4-diam...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)11-15-10-14(8-9-17(15)30-2)6-4-3-5-7-18(28)29/h8-10,12H,3,5,7,11H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18233
PNG
(6-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)10-15-11-17(30-2)9-8-14(15)6-4-3-5-7-18(28)29/h8-9,11-12H,3,5,7,10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.20n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18227
PNG
(2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 1.30n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18233
PNG
(6-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)10-15-11-17(30-2)9-8-14(15)6-4-3-5-7-18(28)29/h8-9,11-12H,3,5,7,10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18230
PNG
(2,4-diamino-5-deazapteridine, 10 | 6-[3-({2,4-diam...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)11-15-10-14(8-9-17(15)30-2)6-4-3-5-7-18(28)29/h8-10,12H,3,5,7,11H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18231
PNG
(2,4-diamino-5-deazapteridine, 2 | 7-[3-({2,4-diami...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
Show InChI InChI=1S/C23H25N5O3/c1-14-17(13-26-22-20(14)21(24)27-23(25)28-22)12-16-11-15(9-10-18(16)31-2)7-5-3-4-6-8-19(29)30/h9-11,13H,3-4,6,8,12H2,1-2H3,(H,29,30)(H4,24,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18238
PNG
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18244
PNG
(6-[(2-iodo-5-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(23-2)3-4-12(9)17)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18225
PNG
(2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(5-6-15(12)28-2)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18227
PNG
(2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18227
PNG
(2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18225
PNG
(2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(5-6-15(12)28-2)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18226
PNG
(2,4-diamino-5-deazapteridine, 5 | 5-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C21H25N5O4/c1-12-14(11-24-20-18(12)19(22)25-21(23)26-20)9-13-10-15(6-7-16(13)29-2)30-8-4-3-5-17(27)28/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18226
PNG
(2,4-diamino-5-deazapteridine, 5 | 5-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C21H25N5O4/c1-12-14(11-24-20-18(12)19(22)25-21(23)26-20)9-13-10-15(6-7-16(13)29-2)30-8-4-3-5-17(27)28/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18228
PNG
(4-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(OCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(28-2)5-6-15(12)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18223
PNG
(6-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4,5-dimet...)
Show SMILES COc1cc(cc(Cc2cnc(N)nc2N)c1OC)C#CCCCC(O)=O
Show InChI InChI=1S/C19H22N4O4/c1-26-15-9-12(6-4-3-5-7-16(24)25)8-13(17(15)27-2)10-14-11-22-19(21)23-18(14)20/h8-9,11H,3,5,7,10H2,1-2H3,(H,24,25)(H4,20,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18235
PNG
(5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCCC(O)=O)cnc2n1
Show InChI InChI=1S/C26H21N7O2/c27-24-23-25(32-26(28)31-24)29-14-19(30-23)15-33-20-7-3-2-6-17(20)10-11-18-13-16(9-12-21(18)33)5-1-4-8-22(34)35/h2-3,6-7,9-14H,4,8,15H2,(H,34,35)(H4,27,28,29,31,32)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18231
PNG
(2,4-diamino-5-deazapteridine, 2 | 7-[3-({2,4-diami...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
Show InChI InChI=1S/C23H25N5O3/c1-14-17(13-26-22-20(14)21(24)27-23(25)28-22)12-16-11-15(9-10-18(16)31-2)7-5-3-4-6-8-19(29)30/h9-11,13H,3-4,6,8,12H2,1-2H3,(H,29,30)(H4,24,25,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18238
PNG
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18244
PNG
(6-[(2-iodo-5-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(23-2)3-4-12(9)17)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18244
PNG
(6-[(2-iodo-5-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(23-2)3-4-12(9)17)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18231
PNG
(2,4-diamino-5-deazapteridine, 2 | 7-[3-({2,4-diami...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
Show InChI InChI=1S/C23H25N5O3/c1-14-17(13-26-22-20(14)21(24)27-23(25)28-22)12-16-11-15(9-10-18(16)31-2)7-5-3-4-6-8-19(29)30/h9-11,13H,3-4,6,8,12H2,1-2H3,(H,29,30)(H4,24,25,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18243
PNG
(6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18232
PNG
(5-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)9-14-10-16(29-2)8-7-13(14)5-3-4-6-17(27)28/h7-8,10-11H,4,6,9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18238
PNG
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18230
PNG
(2,4-diamino-5-deazapteridine, 10 | 6-[3-({2,4-diam...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)11-15-10-14(8-9-17(15)30-2)6-4-3-5-7-18(28)29/h8-10,12H,3,5,7,11H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18243
PNG
(6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18242
PNG
(Piritrexim analogue, 45 | ethyl 4-[2-({2,4-diamino...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-17-8-7-16(29-3)11-14(17)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18230
PNG
(2,4-diamino-5-deazapteridine, 10 | 6-[3-({2,4-diam...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)11-15-10-14(8-9-17(15)30-2)6-4-3-5-7-18(28)29/h8-10,12H,3,5,7,11H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18244
PNG
(6-[(2-iodo-5-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(23-2)3-4-12(9)17)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)


Article DOI: 10.1021/jm0581718
BindingDB Entry DOI: 10.7270/Q2W0946F
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 92 total )  |  Next  |  Last  >>
Jump to: