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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50004896   
Target
(Institution)
LigandTarget
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
Histidine triad nucleotide-binding protein 1


(Homo sapiens)
BDBM50360481
PNG
(CHEMBL1934757)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1
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PubMed
3.40E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...


Citation and Details
More data for this
Ligand-Target Pair
Histidine triad nucleotide-binding protein 1


(Homo sapiens)
BDBM50360480
PNG
(CHEMBL1934756)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H23N7O5/c22-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-32-21(31)23-6-5-11-7-24-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,24,29-30H,5-6,8H2,(H,23,31)(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
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Article
PubMed
1.03E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...


Citation and Details
More data for this
Ligand-Target Pair
Histidine triad nucleotide-binding protein 1


(Homo sapiens)
BDBM50360478
PNG
(CHEMBL1934754)
Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H25N5O5/c1-12-10-26(20(28)25-19(12)27)18-8-15(22)17(31-18)11-30-21(29)23-7-6-13-9-24-16-5-3-2-4-14(13)16/h2-5,9-10,15,17-18,24H,6-8,11,22H2,1H3,(H,23,29)(H,25,27,28)/t15-,17+,18+/m0/s1
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PubMed
1.39E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...


Citation and Details
More data for this
Ligand-Target Pair
Histidine triad nucleotide-binding protein 1


(Homo sapiens)
BDBM50360476
PNG
(CHEMBL1934752)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)CCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H22N6O5/c22-19-16-20(25-9-24-19)27(10-26-16)21-18(30)17(29)14(32-21)8-31-15(28)6-5-11-7-23-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,17-18,21,23,29-30H,5-6,8H2,(H2,22,24,25)/t14-,17-,18-,21-/m1/s1
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PubMed
4.00E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...


Citation and Details
More data for this
Ligand-Target Pair
Histidine triad nucleotide-binding protein 1


(Homo sapiens)
BDBM50360477
PNG
(CHEMBL1934753)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)CCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O5/c23-20-17-21(26-10-25-20)28(11-27-17)22-19(31)18(30)15(33-22)9-32-16(29)7-3-4-12-8-24-14-6-2-1-5-13(12)14/h1-2,5-6,8,10-11,15,18-19,22,24,30-31H,3-4,7,9H2,(H2,23,25,26)/t15-,18-,19-,22-/m1/s1
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Article
PubMed
4.57E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...


Citation and Details
More data for this
Ligand-Target Pair
Histidine triad nucleotide-binding protein 1


(Homo sapiens)
BDBM50360479
PNG
(CHEMBL1934755)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H23N7O5/c1-12-10-28(20(30)25-19(12)29)18-8-16(26-27-22)17(33-18)11-32-21(31)23-7-6-13-9-24-15-5-3-2-4-14(13)15/h2-5,9-10,16-18,24H,6-8,11H2,1H3,(H,23,31)(H,25,29,30)/t16-,17+,18+/m0/s1
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AffyNet 
Article
PubMed
7.15E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...


Citation and Details
More data for this
Ligand-Target Pair