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BDBM50495469 CHEMBL3108953

SMILES: Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1

InChI Key: InChIKey=YZGFCPABVFIIST-VOMIJIAVSA-N

Data: 7 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50495469   
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 3A


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD1A (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JARID1C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JMJD3 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50495469
PNG
(CHEMBL3108953)
Show SMILES Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1 |r|
Show InChI InChI=1S/C23H24N4O3.ClH/c24-19-13-18(19)14-5-7-15(8-6-14)27-21(29)4-2-12-26-23(30)17-9-10-20(28)22-16(17)3-1-11-25-22;/h1,3,5-11,18-19,28H,2,4,12-13,24H2,(H,26,30)(H,27,29);1H/t18-,19+;/m1./s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant FBXL11 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair