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BDBM277775 N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxamide, TFA salt::US10040779, Example 72::US10336727, Example 72::US9617242, Example 72

SMILES: Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1

InChI Key: InChIKey=MBPMGMRWKUDDJJ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 277775   
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 5A


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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n/an/a<0.100n/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 US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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n/an/a<0.100n/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 US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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n/an/a 50n/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 US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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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 US9617242 (2017)


BindingDB Entry DOI: 10.7270/Q2XK8HM5
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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US Patent
n/an/a 5.50E+3n/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 4C


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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US Patent
n/an/a 5.50E+3n/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 US9617242 (2017)


BindingDB Entry DOI: 10.7270/Q2XK8HM5
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
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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))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
PDB

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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 5B


(Homo sapiens (Human))
BDBM277775
PNG
(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 US9617242 (2017)


BindingDB Entry DOI: 10.7270/Q2XK8HM5
More data for this
Ligand-Target Pair