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BDBM270501 3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylphenyl]-1,2,3,4-tetrahydro-isoquinolyl}methyl) amino]pyridine-4-carboxylic acid::US10059687, Example 4B

SMILES: Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1

InChI Key: InChIKey=VVERAQBWHULSTJ-SANMLTNESA-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 = 270501   
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))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 550n/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 US10059687 (2018)


BindingDB Entry DOI: 10.7270/Q2TM7D54
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10059687 (2018)


BindingDB Entry DOI: 10.7270/Q2TM7D54
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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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 US10059687 (2018)


BindingDB Entry DOI: 10.7270/Q2TM7D54
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD2C: The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditio...


US Patent US11001568 (2021)

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


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Jarid1b: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction condit...


US Patent US11001568 (2021)

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


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Jarid1b: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction condit...


US Patent US11001568 (2021)

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


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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n/an/a 550n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD2C: The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditio...


US Patent US11001568 (2021)

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


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)

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


(Homo sapiens (Human))
BDBM270501
PNG
(3-[({(1R)-6-[4-(cyclopropyl-methoxy)-2-methylpheny...)
Show SMILES Cc1cc(OCC2CC2)ccc1-c1ccc2[C@H](CNc3cnccc3C(O)=O)NCCc2c1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-17-12-21(33-16-18-2-3-18)5-7-22(17)19-4-6-23-20(13-19)8-11-29-26(23)15-30-25-14-28-10-9-24(25)27(31)32/h4-7,9-10,12-14,18,26,29-30H,2-3,8,11,15-16H2,1H3,(H,31,32)/t26-/m0/s1
PDB

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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of t...


US Patent US11001568 (2021)

More data for this
Ligand-Target Pair