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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'srisuwannaket' and Initial = 'c'   
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


(Homo sapiens (Human))
BDBM18793
PNG
(6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]...)
Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|
Show InChI InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)
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Article
PubMed
1.46E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564418
PNG
(CHEMBL4792349)
Show SMILES Br.CC1N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl |t:2,5|
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1.95E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564428
PNG
(CHEMBL4798400)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCSc1ccccc1Cl |t:3,6|
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2.11E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564417
PNG
(CHEMBL1231612)
Show SMILES CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl |t:3,6|
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2.36E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564429
PNG
(CHEMBL4795771)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCSc1cccc(Cl)c1 |t:3,6|
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2.37E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564413
PNG
(CHEMBL4780298)
Show SMILES Br.CC1N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:2,5|
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2.37E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564427
PNG
(CHEMBL4789322)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCSc1ccc(Cl)cc1 |t:3,6|
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2.37E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564426
PNG
(CHEMBL4796933)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCSc1ccc(Cl)cc1 |t:3,6|
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2.52E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564430
PNG
(CHEMBL587606 | TCMDC-131671)
Show SMILES Br.CC1(C)NC(N)=NC(=N)N1OCCCSc1ccccc1 |c:5|
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2.91E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564415
PNG
(CHEMBL4780381)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1 |t:3,6|
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2.92E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564433
PNG
(CHEMBL4793581)
Show SMILES Br.CN(CCCON1C(N)=NC(N)=NC1(C)C)c1ccc(Cl)cc1 |c:8,11|
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3.32E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564421
PNG
(CHEMBL4784036)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccccc1 |t:3,6|
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3.63E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564419
PNG
(CHEMBL4782529)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(F)cc1Cl |t:3,6|
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3.76E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564424
PNG
(CHEMBL4796554)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1 |t:3,6|
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3.91E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564434
PNG
(CHEMBL4799272)
Show SMILES Br.CN(CCCON1C(N)=NC(N)=NC1(C)C)c1ccc(Cl)c(Cl)c1 |c:8,11|
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3.91E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564425
PNG
(CHEMBL4778245)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCCc1ccccc1 |t:3,6|
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4.17E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564423
PNG
(CHEMBL528489 | TCMDC-131597)
Show SMILES Br.CC1(C)NC(N)=NC(=N)N1OCCc1ccccc1 |c:5|
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4.29E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564422
PNG
(CHEMBL527468 | TCMDC-131658)
Show SMILES Br.CC1(C)NC(N)=NC(=N)N1OCCCCOc1ccccc1 |c:5|
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4.58E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564431
PNG
(CHEMBL4784738)
Show SMILES Br.CC1(C)N=C(N)N=C(N)N1OCCCNc1ccc(Cl)c(Cl)c1 |t:3,6|
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4.84E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564420
PNG
(CHEMBL4792035)
Show SMILES Br.CC1N=C(N)N=C(N)N1OCCCOc1ccc(F)cc1Cl |t:2,5|
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9.15E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564416
PNG
(CHEMBL4781162)
Show SMILES Br.CC1N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1 |t:2,5|
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1.16E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564432
PNG
(CHEMBL4781149)
Show SMILES Br.Cc1ccc(C)c(NCCCON2C(N)=NC(N)=NC2(C)C)c1 |c:14,17|
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1.24E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564414
PNG
(CHEMBL4800362)
Show SMILES Br.NC1=NC(N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C(N)=N1)c1ccccc1 |c:21,t:1|
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1.45E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50564435
PNG
(CHEMBL4797103)
Show SMILES Br.CCN(CC)CCCON1C(N)=NC(N)=NC1(C)C |c:11,14|
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2.30E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112263
BindingDB Entry DOI: 10.7270/Q2BK1H4Z
More data for this
Ligand-Target Pair