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BDBM50082130 CHEMBL3422656

SMILES: NCC(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1

InChI Key: InChIKey=DJZZQVKLPVWKGI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082130   
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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082130
PNG
(CHEMBL3422656)
Show SMILES NCC(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1
Show InChI InChI=1S/C17H15N5O2/c18-8-14-13-7-12(5-6-15(13)22-17(14)20)24-11-3-1-10(2-4-11)21-16(23)9-19/h1-7,22H,9,19-20H2,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.32E+3n/an/an/an/an/an/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 2


(Homo sapiens)
BDBM50082130
PNG
(CHEMBL3422656)
Show SMILES NCC(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1
Show InChI InChI=1S/C17H15N5O2/c18-8-14-13-7-12(5-6-15(13)22-17(14)20)24-11-3-1-10(2-4-11)21-16(23)9-19/h1-7,22H,9,19-20H2,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.38E+4n/an/an/an/an/an/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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1


(Homo sapiens)
BDBM50082130
PNG
(CHEMBL3422656)
Show SMILES NCC(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1
Show InChI InChI=1S/C17H15N5O2/c18-8-14-13-7-12(5-6-15(13)22-17(14)20)24-11-3-1-10(2-4-11)21-16(23)9-19/h1-7,22H,9,19-20H2,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/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