BindingDB logo
myBDB logout

PubMed code 6737432

Compile data set for download or QSAR
Found 4 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


(Mus musculus (Mouse))		BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
PubMed
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards dihydrofolate reductase in L1210 murine leukemia cell lines

J Med Chem 27: 888-93 (1984)


BindingDB Entry DOI: 10.7270/Q2J1026F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))		BDBM50028272
PNG
(6-Amino-2-[6-amino-2-(4-carboxy-4-{4-[(2,4-diamino...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N12O7/c1-44(17-19-16-37-27-25(38-19)26(35)42-32(36)43-27)20-10-8-18(9-11-20)28(46)40-23(31(50)51)12-13-24(45)39-21(6-2-4-14-33)29(47)41-22(30(48)49)7-3-5-15-34/h8-11,16,21-23H,2-7,12-15,17,33-34H2,1H3,(H,39,45)(H,40,46)(H,41,47)(H,48,49)(H,50,51)(H4,35,36,37,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards dihydrofolate reductase in L1210 murine leukemia cell lines

J Med Chem 27: 888-93 (1984)


BindingDB Entry DOI: 10.7270/Q2J1026F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))		BDBM50028274
PNG
(6-Amino-2-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)NC(CCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H34N10O6/c1-36(13-15-12-30-22-20(31-15)21(28)34-26(29)35-22)16-7-5-14(6-8-16)23(38)33-18(25(41)42)9-10-19(37)32-17(24(39)40)4-2-3-11-27/h5-8,12,17-18H,2-4,9-11,13,27H2,1H3,(H,32,37)(H,33,38)(H,39,40)(H,41,42)(H4,28,29,30,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 87n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards dihydrofolate reductase in L1210 murine leukemia cell lines

J Med Chem 27: 888-93 (1984)


BindingDB Entry DOI: 10.7270/Q2J1026F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))		BDBM50028273
PNG
(6-Amino-2-{6-amino-2-[6-amino-2-(4-carboxy-4-{4-[(...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C38H58N14O8/c1-52(21-23-20-44-32-30(45-23)31(42)50-38(43)51-32)24-13-11-22(12-14-24)33(54)48-28(37(59)60)15-16-29(53)46-25(8-2-5-17-39)34(55)47-26(9-3-6-18-40)35(56)49-27(36(57)58)10-4-7-19-41/h11-14,20,25-28H,2-10,15-19,21,39-41H2,1H3,(H,46,53)(H,47,55)(H,48,54)(H,49,56)(H,57,58)(H,59,60)(H4,42,43,44,50,51)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards dihydrofolate reductase in L1210 murine leukemia cell lines

J Med Chem 27: 888-93 (1984)


BindingDB Entry DOI: 10.7270/Q2J1026F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%