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SMILES: Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12

InChI Key: InChIKey=NRHGITZZOBOACN-IPXJXJKCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 453011   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM453011
PNG
((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|
Show InChI InChI=1S/C19H18F2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.45n/an/an/an/an/an/a



Prelude Therapeutics Incorporated

US Patent


Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...


US Patent US10711007 (2020)


BindingDB Entry DOI: 10.7270/Q2RR2286
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM453011
PNG
((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|
Show InChI InChI=1S/C19H18F2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.45n/an/an/an/an/an/a


TBA

Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KS6VR9
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM453011
PNG
((2R,3R,4S,5S)-2-(4-amino-7H- pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[C@@H]1OCCc2cc(F)c(F)cc12 |r|
Show InChI InChI=1S/C19H18F2N4O4/c20-11-5-8-2-4-28-15(10(8)6-12(11)21)16-13(26)14(27)19(29-16)25-3-1-9-17(22)23-7-24-18(9)25/h1,3,5-7,13-16,19,26-27H,2,4H2,(H2,22,23,24)/t13-,14+,15+,16-,19+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.45n/an/an/an/an/an/a


TBA

Assay Description
Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FJ2M0C
More data for this
Ligand-Target Pair