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Compile Data Set for Download or QSAR

Found 2 hits of ic50 data for polymerid = 50000734   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase ASH1L


(Homo sapiens)
BDBM50530712
PNG
(CHEMBL4591248)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ASH1L expressed in Escherichia coli assessed as reduction in methylated polynucleosome level using polynucleosome as substrate in...


J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase ASH1L


(Homo sapiens)
BDBM50530712
PNG
(CHEMBL4591248)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ASH1L expressed in Escherichia coli assessed as reduction in methylated polynucleosome level using polynucleosome as substrate in...


J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
More data for this
Ligand-Target Pair