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BDBM50081919 3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol::CHEMBL30734

SMILES: Nc1ncc(Cc2cccc(O)c2)c(N)n1

InChI Key: InChIKey=QBQBQHCSEMOJAW-UHFFFAOYSA-N

Data: 15 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50081919   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Escherichia coli)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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339n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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339n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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339n/an/an/an/an/an/an/an/a



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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750n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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990n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.51E+3n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.51E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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3.30E+3n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.32E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from bovine liver


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.32E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.32E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Wnt2/beta-catenin signaling in human A549 cells assessed as inhibition of cell proliferation after 48 hrs by MTT assay


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.35E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.35E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.35E+5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken liver dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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1.00E+14n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against binding of Escherichia coli dihydrofolate reductase


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
More data for this
Ligand-Target Pair