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BDBM277777 N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxamide, TFA salt::US10040779, Example 74::US10336727, Example 74::US9617242, Example 74

SMILES: Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1

InChI Key: InChIKey=CRBLXBRTKXHMBY-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 = 277777   
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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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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))
BDBM277777
PNG
(N-cyano-3-({1-[2-(4,4-difluoropiperidin-1yl)ethyl]...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)CC3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C21H20F3N7O/c22-14-1-2-18-16(11-14)19(28-17-12-26-6-3-15(17)20(32)27-13-25)29-31(18)10-9-30-7-4-21(23,24)5-8-30/h1-3,6,11-12H,4-5,7-10H2,(H,27,32)(H,28,29)
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