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BDBM50117830 CHEMBL3613953

SMILES: Oc1cc(O)c(NC(=O)C2(CCC2)c2ccccc2)cc1Cl

InChI Key: InChIKey=BOHOWRMNYYPMPP-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50117830   
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
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM50117830
PNG
(CHEMBL3613953)
Show SMILES Oc1cc(O)c(NC(=O)C2(CCC2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/an/a 1.30E+4n/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Binding affinity to FTO (unknown origin) (31 to 505 residues) expressed in Escherichia coli BL21 (DE3) by ITC method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens)
BDBM50117830
PNG
(CHEMBL3613953)
Show SMILES Oc1cc(O)c(NC(=O)C2(CCC2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/a 4.95E+3n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of FTO (unknown origin) (31 to 505 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in 15-mer ssRNA (5'-CUUG...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)