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PubMed code 8411018

Compile data set for download or QSAR
Found 6 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 RR1


(Homo sapiens)
BDBM50046031
PNG
(2-(3-Carboxy-2-{2-[2-(2-ethyl-butyrylamino)-3,3-di...)
Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C30H51N5O9/c1-8-18(9-2)25(39)34-24(30(5,6)7)28(42)32-19(15-22(36)35-12-10-11-13-35)26(40)31-20(16-23(37)38)27(41)33-21(29(43)44)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,31,40)(H,32,42)(H,33,41)(H,34,39)(H,37,38)(H,43,44)/t19-,20-,21-,24+/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)


Article DOI: 10.1021/jm00072a021
BindingDB Entry DOI: 10.7270/Q2Z038S2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50368682
PNG
(CHEMBL1790784)
Show SMILES CCC(CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C28H47N5O10/c1-6-17(7-2)24(38)32-23(16(5)34)27(41)30-18(13-21(35)33-10-8-9-11-33)25(39)29-19(14-22(36)37)26(40)31-20(28(42)43)12-15(3)4/h15-20,23,34H,6-14H2,1-5H3,(H,29,39)(H,30,41)(H,31,40)(H,32,38)(H,36,37)(H,42,43)/t16-,18+,19+,20+,23+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)


Article DOI: 10.1021/jm00072a021
BindingDB Entry DOI: 10.7270/Q2Z038S2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50046043
PNG
(2-(3-Carboxy-2-{3-ethoxycarbonyl-2-[2-(2-ethyl-but...)
Show SMILES CCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)C(CC)CC)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C28H48N4O10/c1-9-16(10-2)23(36)32-22(28(6,7)8)26(39)30-18(14-21(35)42-11-3)25(38)29-17(13-20(33)34)24(37)31-19(27(40)41)12-15(4)5/h15-19,22H,9-14H2,1-8H3,(H,29,38)(H,30,39)(H,31,37)(H,32,36)(H,33,34)(H,40,41)/t17-,18-,19-,22+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)


Article DOI: 10.1021/jm00072a021
BindingDB Entry DOI: 10.7270/Q2Z038S2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50368685
PNG
(CHEMBL1790786)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC)CC)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C30H51N5O9/c1-7-18(6)25(34-26(39)19(8-2)9-3)29(42)32-20(15-23(36)35-12-10-11-13-35)27(40)31-21(16-24(37)38)28(41)33-22(30(43)44)14-17(4)5/h17-22,25H,7-16H2,1-6H3,(H,31,40)(H,32,42)(H,33,41)(H,34,39)(H,37,38)(H,43,44)/t18-,20-,21-,22-,25-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)


Article DOI: 10.1021/jm00072a021
BindingDB Entry DOI: 10.7270/Q2Z038S2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50046035
PNG
(3-{2-[2-(2-Ethyl-butyrylamino)-3,3-dimethyl-butyry...)
Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C31H55N5O8/c1-9-19(10-2)26(41)35-25(31(6,7)8)29(44)34-21(15-23(38)36-13-11-12-14-36)28(43)33-22(16-24(39)40)27(42)32-20(18-37)17-30(3,4)5/h19-22,25,37H,9-18H2,1-8H3,(H,32,42)(H,33,43)(H,34,44)(H,35,41)(H,39,40)/t20-,21-,22-,25+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)


Article DOI: 10.1021/jm00072a021
BindingDB Entry DOI: 10.7270/Q2Z038S2
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50033455
PNG
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(2-ethyl-buty...)
Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C32H55N5O9/c1-10-19(11-2)25(39)35-23(31(5,6)7)27(41)33-20(17-22(38)37-14-12-13-15-37)26(40)36-24(32(8,9)30(45)46)28(42)34-21(29(43)44)16-18(3)4/h18-21,23-24H,10-17H2,1-9H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t20-,21-,23+,24+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)


Article DOI: 10.1021/jm00072a021
BindingDB Entry DOI: 10.7270/Q2Z038S2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%