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BDBM320440 2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyridine-7- carboxylic acid::US10174026, Example 114::US9738637, Example 114

SMILES: OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12

InChI Key: InChIKey=OGFIYEBDTTVLMJ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 320440   
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))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
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 US10174026 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
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 US10174026 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical 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 US9738637 (2017)


Article DOI: 10.1021/jm030434f
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical 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 US9738637 (2017)


Article DOI: 10.1021/jm030434f
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical 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 US9738637 (2017)


Article DOI: 10.1021/jm030434f
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM320440
PNG
(2-(4-chloro-3-fluorobenzyl)-1H- pyrrolo[3,2-b]pyri...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(F)c3)[nH]c12
Show InChI InChI=1S/C15H10ClFN2O2/c16-11-2-1-8(6-12(11)17)5-9-7-13-14(19-9)10(15(20)21)3-4-18-13/h1-4,6-7,19H,5H2,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
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 JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10174026 (2019)


Article DOI: 10.1016/j.bmcl.2005.04.028
More data for this
Ligand-Target Pair