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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'dealwis' and Initial = 'cg'   
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
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
PDB
MMDB

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5.00E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Bacillus anthracis)
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

KEGG

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Patents

Article
PubMed
n/an/a 15n/an/an/an/a7.122



University of Tennessee at Knoxville



Assay Description
Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...


J Med Chem 50: 4374-81 (2007)


Article DOI: 10.1021/jm070319v
BindingDB Entry DOI: 10.7270/Q2PG1Q0Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribonucleoside-diphosphate reductase subunit M2


(Homo sapiens (Human))
BDBM50198892
PNG
(3-AP | 3-aminopyridine-2-carboxaldehyde thiosemica...)
Show SMILES NC(=S)N\N=C\c1ncccc1N
PDB
MMDB

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n/an/a 185n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247442
PNG
(CHEMBL3193213)
PDB
MMDB

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n/an/a 5.30E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247435
PNG
(CHEMBL4073197)
PDB
MMDB

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n/an/a 6.10E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247434
PNG
(CHEMBL1958235)
PDB
MMDB

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n/an/a 6.80E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247436
PNG
(CHEMBL4100050)
PDB
MMDB

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n/an/a 7.30E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
PDB
MMDB

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n/an/a<1.00E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247441
PNG
(CHEMBL4067759)
PDB
MMDB

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n/an/a 1.02E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247433
PNG
(CHEMBL4059739)
PDB
MMDB

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n/an/a 1.36E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247432
PNG
(CHEMBL4077024)
PDB
MMDB

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n/an/a 1.66E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247427
PNG
(CHEMBL4064659)
PDB
MMDB

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n/an/a 1.67E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247440
PNG
(CHEMBL4091609)
PDB
MMDB

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n/an/a 2.07E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247426
PNG
(CHEMBL4097201)
PDB
MMDB

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n/an/a 2.11E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247424
PNG
(CHEMBL4101599)
PDB
MMDB

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n/an/a 2.15E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247425
PNG
(CHEMBL4070699)
PDB
MMDB

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n/an/a 2.38E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
PDB
MMDB

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n/an/a 3.20E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247439
PNG
(CHEMBL4075660)
PDB
MMDB

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n/an/a 3.94E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247423
PNG
(CHEMBL4064137)
PDB
MMDB

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n/an/a 4.37E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247410
PNG
(CHEMBL4077097)
PDB
MMDB

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n/an/a 7.01E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247411
PNG
(CHEMBL4087321)
PDB
MMDB

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n/an/a 8.68E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247422
PNG
(CHEMBL4085702)
PDB
MMDB

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n/an/a 9.41E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247412
PNG
(CHEMBL4074537)
PDB
MMDB

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n/an/a 9.52E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Bacillus anthracis)
BDBM18068
PNG
(2-amino-6-(methylamino)-5-nitropyrimidin-4-ol | CH...)
Show SMILES CNc1nc(N)[nH]c(=O)c1[N+]([O-])=O
Show InChI InChI=1S/C5H7N5O3/c1-7-3-2(10(12)13)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
PDB
MMDB

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Article
PubMed
n/an/a 1.04E+5n/an/an/an/a7.122



University of Tennessee at Knoxville



Assay Description
Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...


J Med Chem 50: 4374-81 (2007)


Article DOI: 10.1021/jm070319v
BindingDB Entry DOI: 10.7270/Q2PG1Q0Q
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247437
PNG
(CHEMBL4065911)
PDB
MMDB

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n/an/a 1.20E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247421
PNG
(CHEMBL4102759)
PDB
MMDB

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n/an/a 1.22E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit M2


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
PDB
MMDB

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n/an/a 1.23E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247409
PNG
(CHEMBL4093660)
PDB
MMDB

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n/an/a 1.31E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247438
PNG
(CHEMBL4084809)
PDB
MMDB

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n/an/a 2.98E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247420
PNG
(CHEMBL4095000)
PDB
MMDB

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n/an/a 6.87E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
PDB
MMDB

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n/an/an/a 3.70E+4n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL




J Med Chem 61: 666-680 (2018)

More data for this
Ligand-Target Pair