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BDBM50318681 CHEMBL4162309

SMILES: OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O

InChI Key: InChIKey=UWKUIXNEIFYFGM-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50318681   
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))
BDBM50318681
PNG
(CHEMBL4162309)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50318681
PNG
(CHEMBL4162309)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...


ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM50318681
PNG
(CHEMBL4162309)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24)
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PC cid
PC sid
UniChem
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n/an/a 14n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD3 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...


ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50318681
PNG
(CHEMBL4162309)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...


ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
More data for this
Ligand-Target Pair