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SMILES: OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12

InChI Key: InChIKey=LJHFNRZRNINLGH-UHFFFAOYSA-N

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 8 hits for monomerid = 50158794   
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 4C


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB

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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4C (2 to 372 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 subs...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB
MMDB

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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB

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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5B in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
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US Patent
n/an/a 550n/an/an/an/an/an/a



Celgene Quanticel Research Inc

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10336727 (2019)


BindingDB Entry DOI: 10.7270/Q2571FBT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-FLAG-tagged KDM5B (2 to 751 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB
MMDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10336727 (2019)


BindingDB Entry DOI: 10.7270/Q2571FBT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research Inc

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10336727 (2019)


BindingDB Entry DOI: 10.7270/Q2571FBT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158794
PNG
(CHEMBL3785470 | US10040779, Example 29 | US1033672...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCCC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
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n/an/a<100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 su...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair