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BDBM50498665 CHEMBL1982368

SMILES: Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1

InChI Key: InChIKey=YHHFKWKMXWRVTJ-OQKWZONESA-N

Data: 6 IC50

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 6 hits for monomerid = 50498665   
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))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
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UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/c4md00291a
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) by alpha screen assay


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/c4md00291a
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
PDB
MMDB

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PC sid
UniChem
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (1 to 789 residues) (unknown origin)


Eur J Med Chem 161: 131-140 (2019)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
PDB

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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/c4md00291a
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (1 to 755 residues) (unknown origin)


Eur J Med Chem 161: 131-140 (2019)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50498665
PNG
(CHEMBL1982368)
Show SMILES Clc1ccc(N\N=C(/c2ccccc2)c2ccccn2)nc1
Show InChI InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin)


Medchemcomm 5: 1879-1886 (2014)


Article DOI: 10.1039/c4md00291a
BindingDB Entry DOI: 10.7270/Q2KH0RBN
More data for this
Ligand-Target Pair