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Compile Data Set for Download or QSAR

Found 3 hits for UniProtKB: Q7LG56   
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/subunit M2 B


(Homo sapiens (Human))
BDBM50497567
PNG
(CHEMBL3337770)
Show SMILES CCCC(CCC)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H29N5O5/c1-4-6-11(7-5-2)18(26)28-8-12-19(3,27)14(25)17(29-12)24-10-23-13-15(20)21-9-22-16(13)24/h9-12,14,17,25,27H,4-8H2,1-3H3,(H2,20,21,22)/t12-,14+,17-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
4.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant ribonucleotide reductase in presence of varying levels of ATP by Dixon plot


Bioorg Med Chem Lett 24: 5304-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.046
BindingDB Entry DOI: 10.7270/Q22Z18H9
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2/subunit M2 B


(Homo sapiens (Human))
BDBM50174197
PNG
((S)-3-(2-((3S,3aR,5S,7S,7aS)-7-((3-(9H-fluoren-9-y...)
Show SMILES CC(C)CO[C@@H]1C[C@H]2[C@H](O)CN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H]2[C@@H](COC(=O)CCC2c3ccccc3-c3ccccc23)O1
Show InChI InChI=1S/C43H51N3O11/c1-25(2)23-56-40-19-32-35(47)21-46(22-37(48)44-33(20-38(49)50)42(52)45-34(43(53)54)18-26-10-4-3-5-11-26)41(32)36(57-40)24-55-39(51)17-16-31-29-14-8-6-12-27(29)28-13-7-9-15-30(28)31/h3-15,25,31-36,40-41,47H,16-24H2,1-2H3,(H,44,48)(H,45,52)(H,49,50)(H,53,54)/t32-,33-,34-,35+,36+,40-,41-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase (mRR)


Bioorg Med Chem Lett 15: 5146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.062
BindingDB Entry DOI: 10.7270/Q2RB745F
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit/subunit M2 B


(Homo sapiens (Human))
BDBM50214817
PNG
(CHEMBL236757 | N6-aminoadenosine)
Show SMILES NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10,17-19H,1,11H2,(H,12,13,15)/t4-,6-,7-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.44E+5n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ribonucleotide reductase p53R2/M1 expressed in Escherichia coli BL21 (DE3) after 30 mins by [3H]CDP reduction method


Eur J Med Chem 46: 1499-504 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.055
BindingDB Entry DOI: 10.7270/Q2K074KT
More data for this
Ligand-Target Pair