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BDBM50158849 CHEMBL3785164

InChI string: InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)

SMILES: Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O

InChI Key: InChIKey=YNQCLJVWTGPRRD-UHFFFAOYNA-N

Data: 7 IC50  2 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 9 hits for monomerid = 50158849   
Target
(Institution)
LigandTarget
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
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
PDB
MMDB

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PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens)
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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n/an/a 1.91E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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PubMed
n/an/a 1.78E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
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PC sid
UniChem

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PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4A in human MCF7 cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunofuorescence assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C (KDM4C)


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
PDB

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PC sid
UniChem

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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM4C (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
PDB
MMDB

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PubMed
n/an/a 9.60E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
UniProtKB/SwissProt

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AffyNet 
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PC sid
UniChem

Similars

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PubMed
n/an/an/an/a 9.00E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI...


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B (KDM6B)


(Homo sapiens (Human))
BDBM50158849
PNG
(CHEMBL3785164)
Show SMILES Cc1ccsc1C(NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1/C22H17ClN2O2S/c1-13-9-11-28-21(13)19(25-22(27)14-6-3-2-4-7-14)16-12-17(23)15-8-5-10-24-18(15)20(16)26/h2-12,19,26H,1H3,(H,25,27)
UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay


J Med Chem 59: 1308-29 (2016)

More data for this
Ligand-Target Pair