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PubMed code 26488902

Compile data set for download or QSAR
Found 15 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
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500167
PNG
(CHEMBL3747291)
Show SMILES CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(cc3)[N+]([O-])=O)c3ccccc3c2O)c(c1)C(C)(C)CC
Show InChI InChI=1S/C37H44N2O6/c1-7-36(3,4)25-15-20-32(31(23-25)37(5,6)8-2)44-22-12-11-21-38-35(41)30-24-33(28-13-9-10-14-29(28)34(30)40)45-27-18-16-26(17-19-27)39(42)43/h9-10,13-20,23-24,40H,7-8,11-12,21-22H2,1-6H3,(H,38,41)
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n/an/a 2.18E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500166
PNG
(CHEMBL3747319)
Show SMILES CC(NCCCCCO)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H33NO3/c1-22(28-15-9-4-10-16-29)25-17-26(30-20-23-11-5-2-6-12-23)19-27(18-25)31-21-24-13-7-3-8-14-24/h2-3,5-8,11-14,17-19,22,28-29H,4,9-10,15-16,20-21H2,1H3
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n/an/a 2.36E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500171
PNG
(CHEMBL600902 | GNF-Pf-721)
Show SMILES OC(COc1ccc(OCC(O)CN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1)CN1CCN(CC1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C46H50N4O4/c51-33(29-47-21-25-49(26-22-47)45-41-13-5-1-9-37(41)38-10-2-6-14-42(38)45)31-53-35-17-19-36(20-18-35)54-32-34(52)30-48-23-27-50(28-24-48)46-43-15-7-3-11-39(43)40-12-4-8-16-44(40)46/h1-20,33-34,45-46,51-52H,21-32H2
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n/an/a 2.39E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500170
PNG
(CHEMBL3747217)
Show SMILES CCOC(=O)C[C@@H](CC(=O)NCCN[C@H](C)c1ccc(O)c(c1)C(=O)OC)OC(C)=O |r|
Show InChI InChI=1S/C21H30N2O8/c1-5-30-20(27)12-16(31-14(3)24)11-19(26)23-9-8-22-13(2)15-6-7-18(25)17(10-15)21(28)29-4/h6-7,10,13,16,22,25H,5,8-9,11-12H2,1-4H3,(H,23,26)/t13-,16-/m1/s1
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n/an/a 2.72E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500168
PNG
(CHEMBL3746072)
Show SMILES CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCCCC[C@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C25H28F6N4O8/c1-22(2,34-17(37)12-35-18(38)13-7-3-4-8-14(13)19(35)39)21(42)32-10-6-5-9-15(20(40)41)33-16(36)11-23(43,24(26,27)28)25(29,30)31/h3-4,7-8,15,43H,5-6,9-12H2,1-2H3,(H,32,42)(H,33,36)(H,34,37)(H,40,41)/t15-/m0/s1
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n/an/a 3.22E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500174
PNG
(CHEMBL3745866)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)OC |r|
Show InChI InChI=1S/C29H58N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27(34)32-25(20-16-18-23-30)28(35)33-26(29(36)37-2)21-17-19-24-31/h25-26H,3-24,30-31H2,1-2H3,(H,32,34)(H,33,35)/t25-,26-/m0/s1
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n/an/a 3.57E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500165
PNG
(CHEMBL3746526)
Show SMILES CCCOc1ccc(cc1NS(=O)(=O)\C=C\c1ccccc1)C(=O)OCCN(CC)CC
Show InChI InChI=1S/C24H32N2O5S/c1-4-16-30-23-13-12-21(24(27)31-17-15-26(5-2)6-3)19-22(23)25-32(28,29)18-14-20-10-8-7-9-11-20/h7-14,18-19,25H,4-6,15-17H2,1-3H3/b18-14+
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n/an/a 4.40E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500172
PNG
(CHEMBL3746454)
Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C34H53N11O8/c1-18(2)27(44-29(48)23(41-26(47)16-37-5)7-6-12-39-34(35)36)31(50)42-24(13-20-8-10-22(46)11-9-20)30(49)45-28(19(3)4)32(51)43-25(33(52)53)14-21-15-38-17-40-21/h8-11,15,17-19,23-25,27-28,37,46H,6-7,12-14,16H2,1-5H3,(H,38,40)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H,45,49)(H,52,53)(H4,35,36,39)/t23-,24-,25-,27-,28-/m0/s1
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n/an/a 4.52E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500173
PNG
(CHEMBL3746940)
Show SMILES CCCCCCCCCCCCCCNC(=O)[C@@H](N)CCN |r|
Show InChI InChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-18(22)17(20)14-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1
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n/an/a 4.72E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500169
PNG
(CHEMBL3746715)
Show SMILES CCOC(=O)C(NC(=O)CN[C@H]1CCCc2sccc12)C(=O)OCC |r|
Show InChI InChI=1S/C17H24N2O5S/c1-3-23-16(21)15(17(22)24-4-2)19-14(20)10-18-12-6-5-7-13-11(12)8-9-25-13/h8-9,12,15,18H,3-7,10H2,1-2H3,(H,19,20)/t12-/m0/s1
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n/an/a 6.17E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50017811
PNG
(CHEMBL467 | HU | US10155732, Compound HU | hydroxy...)
Show SMILES NC(=O)NO
Show InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
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n/an/a 9.97E+5n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation c...

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500168
PNG
(CHEMBL3746072)
Show SMILES CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCCCC[C@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C25H28F6N4O8/c1-22(2,34-17(37)12-35-18(38)13-7-3-4-8-14(13)19(35)39)21(42)32-10-6-5-9-15(20(40)41)33-16(36)11-23(43,24(26,27)28)25(29,30)31/h3-4,7-8,15,43H,5-6,9-12H2,1-2H3,(H,32,42)(H,33,36)(H,34,37)(H,40,41)/t15-/m0/s1
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n/an/an/a 9.68E+3n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Binding affinity to human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500171
PNG
(CHEMBL600902 | GNF-Pf-721)
Show SMILES OC(COc1ccc(OCC(O)CN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1)CN1CCN(CC1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C46H50N4O4/c51-33(29-47-21-25-49(26-22-47)45-41-13-5-1-9-37(41)38-10-2-6-14-42(38)45)31-53-35-17-19-36(20-18-35)54-32-34(52)30-48-23-27-50(28-24-48)46-43-15-7-3-11-39(43)40-12-4-8-16-44(40)46/h1-20,33-34,45-46,51-52H,21-32H2
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n/an/an/a 3.56E+4n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Binding affinity to human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500166
PNG
(CHEMBL3747319)
Show SMILES CC(NCCCCCO)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H33NO3/c1-22(28-15-9-4-10-16-29)25-17-26(30-20-23-11-5-2-6-12-23)19-27(18-25)31-21-24-13-7-3-8-14-24/h2-3,5-8,11-14,17-19,22,28-29H,4,9-10,15-16,20-21H2,1H3
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n/an/an/a 1.08E+4n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Binding affinity to human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))		BDBM50500165
PNG
(CHEMBL3746526)
Show SMILES CCCOc1ccc(cc1NS(=O)(=O)\C=C\c1ccccc1)C(=O)OCCN(CC)CC
Show InChI InChI=1S/C24H32N2O5S/c1-4-16-30-23-13-12-21(24(27)31-17-15-26(5-2)6-3)19-22(23)25-32(28,29)18-14-20-10-8-7-9-11-20/h7-14,18-19,25H,4-6,15-17H2,1-3H3/b18-14+
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n/an/an/a 5.53E+4n/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Binding affinity to human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay

J Med Chem 58: 9498-509 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00929
BindingDB Entry DOI: 10.7270/Q2MW2M5M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%