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Patent code US10155732

Compile Data Set for Download or QSAR
Found 5 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
RRM1/RRM2 holoenzyme


(Homo sapiens)
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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Similars

US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...


US Patent US10155732 (2018)

More data for this
Ligand-Target Pair
RRM1/RRM2 holoenzyme


(Homo sapiens)
BDBM310963
PNG
(US10155732, Compound COH20)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1nc(cs1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12N2O5S/c19-11-3-1-8(5-13(11)21)10-7-24-16(17-10)18-15(23)9-2-4-12(20)14(22)6-9/h1-7,19-22H,(H,17,18,23)
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US Patent
n/an/a 9.30E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...


US Patent US10155732 (2018)

More data for this
Ligand-Target Pair
RRM1/RRM2 holoenzyme


(Homo sapiens)
BDBM310954
PNG
(US10155732, Compound COH4)
Show SMILES Oc1ccc(cc1O)-c1csc(NC(=O)c2ccccc2)n1
Show InChI InChI=1S/C16H12N2O3S/c19-13-7-6-11(8-14(13)20)12-9-22-16(17-12)18-15(21)10-4-2-1-3-5-10/h1-9,19-20H,(H,17,18,21)
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US Patent
n/an/a 1.53E+4n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...


US Patent US10155732 (2018)

More data for this
Ligand-Target Pair
RRM1/RRM2 holoenzyme


(Homo sapiens)
BDBM310953
PNG
(US10155732, Compound NCI-3)
Show SMILES Oc1ccc(cc1O)-c1csc(N\C=C2/C(=O)Oc3ccccc3C2=O)n1
Show InChI InChI=1S/C19H12N2O5S/c22-14-6-5-10(7-15(14)23)13-9-27-19(21-13)20-8-12-17(24)11-3-1-2-4-16(11)26-18(12)25/h1-9,22-23H,(H,20,21)/b12-8-
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UniChem
US Patent
n/an/a 1.91E+4n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...


US Patent US10155732 (2018)

More data for this
Ligand-Target Pair
RRM1/RRM2 holoenzyme


(Homo sapiens)
BDBM50017811
PNG
(CHEMBL467 | HU | HYDROXYUREA | US10155732, Compoun...)
Show SMILES NC(=O)NO
Show InChI InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
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Patents

US Patent
n/an/a 1.48E+5n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...


US Patent US10155732 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%