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BDBM50317078 CHEMBL4170656

SMILES: CCc1ccc2cc(CCn3ncc4nc(nc(O)c34)-n3cc(cn3)C(O)=O)ccc2c1

InChI Key: InChIKey=PIKQIBDIDXDIHR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317078   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50317078
PNG
(CHEMBL4170656)
Show SMILES CCc1ccc2cc(CCn3ncc4nc(nc(O)c34)-n3cc(cn3)C(O)=O)ccc2c1
Show InChI InChI=1S/C23H20N6O3/c1-2-14-3-5-17-10-15(4-6-16(17)9-14)7-8-28-20-19(12-25-28)26-23(27-21(20)30)29-13-18(11-24-29)22(31)32/h3-6,9-13H,2,7-8H2,1H3,(H,31,32)(H,26,27,30)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin)


J Med Chem 61: 6964-6982 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM50317078
PNG
(CHEMBL4170656)
Show SMILES CCc1ccc2cc(CCn3ncc4nc(nc(O)c34)-n3cc(cn3)C(O)=O)ccc2c1
Show InChI InChI=1S/C23H20N6O3/c1-2-14-3-5-17-10-15(4-6-16(17)9-14)7-8-28-20-19(12-25-28)26-23(27-21(20)30)29-13-18(11-24-29)22(31)32/h3-6,9-13H,2,7-8H2,1H3,(H,31,32)(H,26,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD3 (unknown origin)


J Med Chem 61: 6964-6982 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7
More data for this
Ligand-Target Pair