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BDBM50446883 CHEMBL3115283

SMILES: CC(C)(C)c1ccc(Cn2c(nc(O)c(C(=O)NCC(O)=O)c2=O)-c2c(Cl)cccc2Cl)cc1

InChI Key: InChIKey=OPDUTTZPMJDPDW-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 = 50446883   
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))
BDBM50446883
PNG
(CHEMBL3115283)
Show SMILES CC(C)(C)c1ccc(Cn2c(nc(O)c(C(=O)NCC(O)=O)c2=O)-c2c(Cl)cccc2Cl)cc1 |(69.68,-13.82,;68.34,-13.06,;68.33,-11.52,;69.67,-12.27,;67.01,-13.83,;67.02,-15.38,;65.69,-16.15,;64.36,-15.38,;63.03,-16.16,;63.04,-17.7,;61.72,-18.47,;61.72,-20.02,;63.05,-20.78,;63.06,-22.32,;64.39,-20.01,;65.72,-20.77,;65.73,-22.31,;67.06,-20,;68.39,-20.76,;69.72,-19.99,;71.06,-20.75,;69.72,-18.45,;64.38,-18.46,;65.71,-17.68,;60.38,-17.71,;60.39,-16.17,;61.72,-15.4,;59.05,-15.4,;57.72,-16.18,;57.73,-17.72,;59.06,-18.48,;59.07,-20.02,;64.34,-13.85,;65.67,-13.07,)|
Show InChI InChI=1S/C24H23Cl2N3O5/c1-24(2,3)14-9-7-13(8-10-14)12-29-20(18-15(25)5-4-6-16(18)26)28-22(33)19(23(29)34)21(32)27-11-17(30)31/h4-10,33H,11-12H2,1-3H3,(H,27,32)(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/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))
BDBM50446883
PNG
(CHEMBL3115283)
Show SMILES CC(C)(C)c1ccc(Cn2c(nc(O)c(C(=O)NCC(O)=O)c2=O)-c2c(Cl)cccc2Cl)cc1 |(69.68,-13.82,;68.34,-13.06,;68.33,-11.52,;69.67,-12.27,;67.01,-13.83,;67.02,-15.38,;65.69,-16.15,;64.36,-15.38,;63.03,-16.16,;63.04,-17.7,;61.72,-18.47,;61.72,-20.02,;63.05,-20.78,;63.06,-22.32,;64.39,-20.01,;65.72,-20.77,;65.73,-22.31,;67.06,-20,;68.39,-20.76,;69.72,-19.99,;71.06,-20.75,;69.72,-18.45,;64.38,-18.46,;65.71,-17.68,;60.38,-17.71,;60.39,-16.17,;61.72,-15.4,;59.05,-15.4,;57.72,-16.18,;57.73,-17.72,;59.06,-18.48,;59.07,-20.02,;64.34,-13.85,;65.67,-13.07,)|
Show InChI InChI=1S/C24H23Cl2N3O5/c1-24(2,3)14-9-7-13(8-10-14)12-29-20(18-15(25)5-4-6-16(18)26)28-22(33)19(23(29)34)21(32)27-11-17(30)31/h4-10,33H,11-12H2,1-3H3,(H,27,32)(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/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 after 30 mins


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