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BDBM240926 US9409892, 21

SMILES: COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1

InChI Key: InChIKey=YLAYKCQTUJKINN-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 = 240926   
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 2


(Homo sapiens (Human))
BDBM240926
PNG
(US9409892, 21)
Show SMILES COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O6/c1-23(2,11-19(27)28)26-22(30)20-21(29)16-9-8-15(10-17(16)18(12-24)25-20)32-14-6-4-13(31-3)5-7-14/h4-10,29H,11H2,1-3H3,(H,26,30)(H,27,28)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/a7.4n/a



FibroGen, Inc.

US Patent


Assay Description
Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources...


US Patent US9409892 (2016)


BindingDB Entry DOI: 10.7270/Q2MG7NFC
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM240926
PNG
(US9409892, 21)
Show SMILES COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O6/c1-23(2,11-19(27)28)26-22(30)20-21(29)16-9-8-15(10-17(16)18(12-24)25-20)32-14-6-4-13(31-3)5-7-14/h4-10,29H,11H2,1-3H3,(H,26,30)(H,27,28)
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PC sid
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n/an/a 240n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD1 (unknown origin) expressed in insect Hi5 cells using peptide as substrate


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))
BDBM240926
PNG
(US9409892, 21)
Show SMILES COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O6/c1-23(2,11-19(27)28)26-22(30)20-21(29)16-9-8-15(10-17(16)18(12-24)25-20)32-14-6-4-13(31-3)5-7-14/h4-10,29H,11H2,1-3H3,(H,26,30)(H,27,28)
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate


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))
BDBM240926
PNG
(US9409892, 21)
Show SMILES COc1ccc(Oc2ccc3c(O)c(nc(C#N)c3c2)C(=O)NC(C)(C)CC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O6/c1-23(2,11-19(27)28)26-22(30)20-21(29)16-9-8-15(10-17(16)18(12-24)25-20)32-14-6-4-13(31-3)5-7-14/h4-10,29H,11H2,1-3H3,(H,26,30)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.40E+3n/an/an/an/a7.4n/a



FibroGen, Inc.

US Patent


Assay Description
Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources...


US Patent US9409892 (2016)


BindingDB Entry DOI: 10.7270/Q2MG7NFC
More data for this
Ligand-Target Pair