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BDBM50446902 CHEMBL3115294

SMILES: COc1ccc(nc1OC)-n1c(=S)[nH]c2sc(C(=O)NCc3ccc(Cl)cc3)c(C)c2c1=O

InChI Key: InChIKey=HZQCGHUXTQUDJR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50446902   
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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM50446902
PNG
(CHEMBL3115294)
Show SMILES COc1ccc(nc1OC)-n1c(=S)[nH]c2sc(C(=O)NCc3ccc(Cl)cc3)c(C)c2c1=O
Show InChI InChI=1S/C22H19ClN4O4S2/c1-11-16-20(33-17(11)18(28)24-10-12-4-6-13(23)7-5-12)26-22(32)27(21(16)29)15-9-8-14(30-2)19(25-15)31-3/h4-9H,10H2,1-3H3,(H,24,28)(H,26,32)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of PHD3 in human Hep3B cells assessed as stimulation of EPO release after 48 hrs by ELISA


J Med Chem 56: 9369-402 (2014)


Article DOI: 10.1021/jm400386j
BindingDB Entry DOI: 10.7270/Q290258T
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM50446902
PNG
(CHEMBL3115294)
Show SMILES COc1ccc(nc1OC)-n1c(=S)[nH]c2sc(C(=O)NCc3ccc(Cl)cc3)c(C)c2c1=O
Show InChI InChI=1S/C22H19ClN4O4S2/c1-11-16-20(33-17(11)18(28)24-10-12-4-6-13(23)7-5-12)26-22(32)27(21(16)29)15-9-8-14(30-2)19(25-15)31-3/h4-9H,10H2,1-3H3,(H,24,28)(H,26,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged PHD3 (1 to 239) (unknown origin)-mediated Cy5CODD hydroxylation expressed in Escherichia coli preincubated for 3 mins follo...


J Med Chem 56: 9369-402 (2014)


Article DOI: 10.1021/jm400386j
BindingDB Entry DOI: 10.7270/Q290258T
More data for this
Ligand-Target Pair