BDBM50082129 CHEMBL3421643
SMILES: N[C@H](CO)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1
InChI Key:
Data: 6 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human)) | BDBM50082129 (CHEMBL3421643) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay | J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 (Homo sapiens (Human)) | BDBM50082129 (CHEMBL3421643) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay | J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear SET domain-containing protein 2 (NSD2) (Homo sapiens (Human)) | BDBM50082129 (CHEMBL3421643) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of full-length NSD2 (unknown origin) using HeLa oligonucleosome as substrate preincubated for 15 mins followed by substrate addition measu... | Bioorg Med Chem Lett 28: 3231-3235 (2018) Article DOI: 10.1016/j.bmcl.2018.08.012 BindingDB Entry DOI: 10.7270/Q2JW8HKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arsenite methyltransferase (Homo sapiens) | BDBM50082129 (CHEMBL3421643) | GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human AS3MT using NaAsO2 as substrate preincubated for 30 minutes followed by substrate addition measured after 90 mins in presence of ... | Bioorg Med Chem Lett 28: 3231-3235 (2018) Article DOI: 10.1016/j.bmcl.2018.08.012 BindingDB Entry DOI: 10.7270/Q2JW8HKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human)) | BDBM50082129 (CHEMBL3421643) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of full-length DOT1L (unknown origin) using HeLa oligonucleosome as substrate preincubated for 15 mins followed by substrate addition meas... | Bioorg Med Chem Lett 28: 3231-3235 (2018) Article DOI: 10.1016/j.bmcl.2018.08.012 BindingDB Entry DOI: 10.7270/Q2JW8HKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2 (Homo sapiens (Human)) | BDBM50082129 (CHEMBL3421643) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay | J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB | |||||||||||
More data for this Ligand-Target Pair |