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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50000351   
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)
Show SMILES Oc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
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5.00E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Competitive inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
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n/an/a 185n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM2 expressed in Escherichia coli BL21-codon plus(DE3) using [14C]-ADP as substrate after 3 mins by liquid scintillation countin...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247442
PNG
(CHEMBL3193213)
Show SMILES Oc1ccc2ccccc2c1\C=N\NC(=O)c1cccnc1
Show InChI InChI=1S/C17H13N3O2/c21-16-8-7-12-4-1-2-6-14(12)15(16)11-19-20-17(22)13-5-3-9-18-10-13/h1-11,21H,(H,20,22)/b19-11+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247435
PNG
(CHEMBL4073197)
Show SMILES Nc1ccc(cc1Cl)C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H14ClN3O2/c19-15-9-12(5-7-16(15)20)18(24)22-21-10-14-13-4-2-1-3-11(13)6-8-17(14)23/h1-10,23H,20H2,(H,22,24)/b21-10+
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n/an/a 6.10E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247434
PNG
(CHEMBL1958235)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H16N2O3S/c1-13-6-9-15(10-7-13)24(22,23)20-19-12-17-16-5-3-2-4-14(16)8-11-18(17)21/h2-12,20-21H,1H3/b19-12+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247436
PNG
(CHEMBL4100050)
Show SMILES Oc1ccc2cc(\C=N\NC(=O)c3ccccc3O)ccc2c1
Show InChI InChI=1S/C18H14N2O3/c21-15-8-7-13-9-12(5-6-14(13)10-15)11-19-20-18(23)16-3-1-2-4-17(16)22/h1-11,21-22H,(H,20,23)/b19-11+
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n/an/a 7.30E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
Show SMILES Oc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
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n/an/a<1.00E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247441
PNG
(CHEMBL4067759)
Show SMILES Cc1cccc2c(\C=N\NC(=O)c3ccccc3O)c[nH]c12
Show InChI InChI=1S/C17H15N3O2/c1-11-5-4-7-13-12(9-18-16(11)13)10-19-20-17(22)14-6-2-3-8-15(14)21/h2-10,18,21H,1H3,(H,20,22)/b19-10+
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n/an/a 1.02E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247433
PNG
(CHEMBL4059739)
Show SMILES COc1cc(Br)ccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C19H15BrN2O3/c1-25-18-10-13(20)7-8-15(18)19(24)22-21-11-16-14-5-3-2-4-12(14)6-9-17(16)23/h2-11,23H,1H3,(H,22,24)/b21-11+
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n/an/a 1.36E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247432
PNG
(CHEMBL4077024)
Show SMILES COc1ccc(Br)cc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C19H15BrN2O3/c1-25-18-9-7-13(20)10-15(18)19(24)22-21-11-16-14-5-3-2-4-12(14)6-8-17(16)23/h2-11,23H,1H3,(H,22,24)/b21-11+
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n/an/a 1.66E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247427
PNG
(CHEMBL4064659)
Show SMILES Oc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C18H12ClN3O4/c19-15-9-12(5-7-16(15)22(25)26)18(24)21-20-10-14-13-4-2-1-3-11(13)6-8-17(14)23/h1-10,23H,(H,21,24)/b20-10+
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n/an/a 1.67E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247440
PNG
(CHEMBL4091609)
Show SMILES Oc1ccccc1C(=O)N\N=C\c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O4/c21-15-4-2-1-3-12(15)16(22)19-18-9-10-8-17-14-6-5-11(20(23)24)7-13(10)14/h1-9,17,21H,(H,19,22)/b18-9+
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n/an/a 2.07E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247426
PNG
(CHEMBL4097201)
Show SMILES Oc1ccc2[nH]cc(\C=N\NC(=O)c3ccccc3O)c2c1
Show InChI InChI=1S/C16H13N3O3/c20-11-5-6-14-13(7-11)10(8-17-14)9-18-19-16(22)12-3-1-2-4-15(12)21/h1-9,17,20-21H,(H,19,22)/b18-9+
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n/an/a 2.11E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247424
PNG
(CHEMBL4101599)
Show SMILES Oc1ccc2ccccc2c1\C=N\Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN2O/c18-13-6-8-14(9-7-13)20-19-11-16-15-4-2-1-3-12(15)5-10-17(16)21/h1-11,20-21H/b19-11+
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n/an/a 2.15E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247425
PNG
(CHEMBL4070699)
Show SMILES Nc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H15N3O2/c19-16-8-4-3-7-14(16)18(23)21-20-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,22H,19H2,(H,21,23)/b20-11+
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n/an/a 2.38E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
Show SMILES Oc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate by boronate affinity chromatography


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247439
PNG
(CHEMBL4075660)
Show SMILES Oc1ccc2ccccc2c1\C=N\N=C\c1ccccc1
Show InChI InChI=1S/C18H14N2O/c21-18-11-10-15-8-4-5-9-16(15)17(18)13-20-19-12-14-6-2-1-3-7-14/h1-13,21H/b19-12+,20-13+
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n/an/a 3.94E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247423
PNG
(CHEMBL4064137)
Show SMILES Oc1ccc2ccccc2c1\C=N\NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13N3O5S/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-26(24,25)14-8-6-13(7-9-14)20(22)23/h1-11,19,21H/b18-11+
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n/an/a 4.37E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247410
PNG
(CHEMBL4077097)
Show SMILES Oc1ccc2ccccc2c1\C=N\Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13N3O3/c21-17-10-5-12-3-1-2-4-15(12)16(17)11-18-19-13-6-8-14(9-7-13)20(22)23/h1-11,19,21H/b18-11+
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n/an/a 7.01E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247411
PNG
(CHEMBL4087321)
Show SMILES Cc1ccc(\C=N\N=C\c2c(O)ccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c1-14-6-8-15(9-7-14)12-20-21-13-18-17-5-3-2-4-16(17)10-11-19(18)22/h2-13,22H,1H3/b20-12+,21-13+
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n/an/a 8.68E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247422
PNG
(CHEMBL4085702)
Show SMILES COc1ccc(\C=N\N=C\c2c(O)ccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-23-16-9-6-14(7-10-16)12-20-21-13-18-17-5-3-2-4-15(17)8-11-19(18)22/h2-13,22H,1H3/b20-12+,21-13+
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n/an/a 9.41E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247412
PNG
(CHEMBL4074537)
Show SMILES CN(C)c1ccc(\C=N\N=C\c2c(O)ccc3ccccc23)cc1
Show InChI InChI=1S/C20H19N3O/c1-23(2)17-10-7-15(8-11-17)13-21-22-14-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-14,24H,1-2H3/b21-13+,22-14+
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n/an/a 9.52E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247437
PNG
(CHEMBL4065911)
Show SMILES Oc1ccc2ccccc2c1\C=N\NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H16N2O3/c22-18-11-10-15-8-4-5-9-16(15)17(18)12-20-21-19(23)24-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23)/b20-12+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247421
PNG
(CHEMBL4102759)
Show SMILES Oc1ccc2ccccc2c1\C=N\NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c20-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19-23(21,22)14-7-2-1-3-8-14/h1-12,19-20H/b18-12+
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n/an/a 1.22E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit M2


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
Show SMILES Oc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
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n/an/a 1.23E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM2 expressed in Escherichia coli BL21-codon plus(DE3) using [14C]-ADP as substrate after 3 mins by liquid scintillation countin...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247409
PNG
(CHEMBL4093660)
Show SMILES Oc1ccc2ccccc2c1\C=N\NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C18H16N2O3S/c21-18-11-10-15-8-4-5-9-16(15)17(18)12-19-20-24(22,23)13-14-6-2-1-3-7-14/h1-12,20-21H,13H2/b19-12+
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n/an/a 1.31E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247438
PNG
(CHEMBL4084809)
Show SMILES CC1(C)C2CC(CS(=O)(=O)N\N=C\c3c(O)ccc4ccccc34)C1C(=O)C2 |TLB:26:25:1:5.4,6:5:1:27.25|
Show InChI InChI=1S/C21H24N2O4S/c1-21(2)15-9-14(20(21)19(25)10-15)12-28(26,27)23-22-11-17-16-6-4-3-5-13(16)7-8-18(17)24/h3-8,11,14-15,20,23-24H,9-10,12H2,1-2H3/b22-11+
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n/an/a 2.98E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247420
PNG
(CHEMBL4095000)
Show SMILES COc1cc(\C=N\N=C\c2c(O)ccc3ccccc23)ccc1O
Show InChI InChI=1S/C19H16N2O3/c1-24-19-10-13(6-8-18(19)23)11-20-21-12-16-15-5-3-2-4-14(15)7-9-17(16)22/h2-12,22-23H,1H3/b20-11+,21-12+
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n/an/a 6.87E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation cou...


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50247408
PNG
(CHEMBL4067105)
Show SMILES Oc1ccccc1C(=O)N\N=C\c1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
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n/an/an/a 3.70E+4n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Binding affinity to human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL by fluorescence spectrophotometric method


J Med Chem 61: 666-680 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00530
BindingDB Entry DOI: 10.7270/Q2W098CB
More data for this
Ligand-Target Pair