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BDBM50361473 CHEMBL1435274

SMILES: OC(=O)c1ccnc2c(O)cccc12

InChI Key: InChIKey=KPTUKANGPPVLMD-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50361473   
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
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50361473
PNG
(CHEMBL1435274)
Show SMILES OC(=O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
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PC sid
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PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50361473
PNG
(CHEMBL1435274)
Show SMILES OC(=O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FIH


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50361473
PNG
(CHEMBL1435274)
Show SMILES OC(=O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PHD2


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair