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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50051910   
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


(Lactobacillus casei)
BDBM50051910
PNG
((R)-4-Amino-5-(4-{[(2,4-diamino-pyrido[2,3-d]pyrim...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(=O)[C@H](N)CCC(O)=O)c1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H24N8O4/c1-29(13-8-14-17(23)26-21(24)27-18(14)25-9-13)10-11-2-4-12(5-3-11)19(32)28-20(33)15(22)6-7-16(30)31/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,30,31)(H,28,32,33)(H4,23,24,25,26,27)/t15-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against recombinant sf dihydrofolate reductase(in 50 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50051910
PNG
((R)-4-Amino-5-(4-{[(2,4-diamino-pyrido[2,3-d]pyrim...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(=O)[C@H](N)CCC(O)=O)c1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H24N8O4/c1-29(13-8-14-17(23)26-21(24)27-18(14)25-9-13)10-11-2-4-12(5-3-11)19(32)28-20(33)15(22)6-7-16(30)31/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,30,31)(H,28,32,33)(H4,23,24,25,26,27)/t15-/m1/s1
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PubMed
n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against recombinant ec dihydrofolate reductase(in 50 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50051910
PNG
((R)-4-Amino-5-(4-{[(2,4-diamino-pyrido[2,3-d]pyrim...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(=O)[C@H](N)CCC(O)=O)c1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H24N8O4/c1-29(13-8-14-17(23)26-21(24)27-18(14)25-9-13)10-11-2-4-12(5-3-11)19(32)28-20(33)15(22)6-7-16(30)31/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,30,31)(H,28,32,33)(H4,23,24,25,26,27)/t15-/m1/s1
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against recombinant lc dihydrofolate reductase(in 50 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50051910
PNG
((R)-4-Amino-5-(4-{[(2,4-diamino-pyrido[2,3-d]pyrim...)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(=O)[C@H](N)CCC(O)=O)c1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H24N8O4/c1-29(13-8-14-17(23)26-21(24)27-18(14)25-9-13)10-11-2-4-12(5-3-11)19(32)28-20(33)15(22)6-7-16(30)31/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,30,31)(H,28,32,33)(H4,23,24,25,26,27)/t15-/m1/s1
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Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human dihydrofolate reductase(in 50 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair