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BDBM50291791 6,6-Dimethyl-1-[3-(naphthalen-1-yloxymethyl)-phenyl]-1,6-dihydro-[1,3,5]triazine-2,4-diamine::CHEMBL20466

SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1

InChI Key: InChIKey=JHWDJVFPABOYEB-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50291791   
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 (DHFR)


(Pneumocystis carinii)
BDBM50291791
PNG
(6,6-Dimethyl-1-[3-(naphthalen-1-yloxymethyl)-pheny...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1 |t:3,6|
Show InChI InChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)17-10-5-7-15(13-17)14-28-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,14H2,1-2H3,(H4,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.37n/an/an/an/an/an/an/an/a



COR Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii.


J Med Chem 38: 967-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z039BN
More data for this
Ligand-Target Pair
Thymidylate synthase (TS)


(Leishmania major)
BDBM50291791
PNG
(6,6-Dimethyl-1-[3-(naphthalen-1-yloxymethyl)-pheny...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1 |t:3,6|
Show InChI InChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)17-10-5-7-15(13-17)14-28-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,14H2,1-2H3,(H4,23,24,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
39.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Leishmania major


J Med Chem 30: 1218-24 (1987)

Checked by Author
BindingDB Entry DOI: 10.7270/Q21V5FJ0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50291791
PNG
(6,6-Dimethyl-1-[3-(naphthalen-1-yloxymethyl)-pheny...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1 |t:3,6|
Show InChI InChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)17-10-5-7-15(13-17)14-28-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,14H2,1-2H3,(H4,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)


J Med Chem 27: 129-43 (1984)


BindingDB Entry DOI: 10.7270/Q2TT4S5M
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50291791
PNG
(6,6-Dimethyl-1-[3-(naphthalen-1-yloxymethyl)-pheny...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1 |t:3,6|
Show InChI InChI=1S/C22H23N5O/c1-22(2)26-20(23)25-21(24)27(22)17-10-5-7-15(13-17)14-28-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,14H2,1-2H3,(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
PubMed
135n/an/an/an/an/an/an/an/a



COR Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of human dihydrofolate reductase (DHFR)


J Med Chem 38: 967-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z039BN
More data for this
Ligand-Target Pair