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SMILES: Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1[N+]#[C-]

InChI Key: InChIKey=DABPDMJCBJOCIH-UHFFFAOYSA-N

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 4 hits for monomerid = 276077   
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 2B


(Homo sapiens (Human))
BDBM276077
PNG
(4-[2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1[N+]#[C-] |(2.9,-3.53,;1.41,-3.92,;.5,-5.17,;-.96,-4.69,;-.96,-3.15,;.5,-2.68,;.9,-1.19,;-.19,-.1,;.21,1.39,;1.7,1.78,;2.1,3.27,;2.79,.7,;2.39,-.79,;3.48,-1.88,;4.97,-1.48,;6.05,-2.57,;6.45,-4.06,;7.54,-2.97,;-2.3,-2.38,;-2.3,-.84,;-3.63,-.07,;-4.96,-.84,;-4.96,-2.38,;-3.63,-3.15,;-3.63,1.47,;-2.38,2.37,;-2.86,3.84,;-4.4,3.84,;-4.91,2.36,;-6.38,1.88,;-7.84,1.41,)|
Show InChI InChI=1S/C22H18FN7O/c1-24-22-19(27-29-28-22)14-7-8-25-17(9-14)20-21(30(2)12-26-20)16-6-5-15(23)10-18(16)31-11-13-3-4-13/h5-10,12-13H,3-4,11H2,2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10071984 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7X0X
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM276077
PNG
(4-[2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1[N+]#[C-] |(2.9,-3.53,;1.41,-3.92,;.5,-5.17,;-.96,-4.69,;-.96,-3.15,;.5,-2.68,;.9,-1.19,;-.19,-.1,;.21,1.39,;1.7,1.78,;2.1,3.27,;2.79,.7,;2.39,-.79,;3.48,-1.88,;4.97,-1.48,;6.05,-2.57,;6.45,-4.06,;7.54,-2.97,;-2.3,-2.38,;-2.3,-.84,;-3.63,-.07,;-4.96,-.84,;-4.96,-2.38,;-3.63,-3.15,;-3.63,1.47,;-2.38,2.37,;-2.86,3.84,;-4.4,3.84,;-4.91,2.36,;-6.38,1.88,;-7.84,1.41,)|
Show InChI InChI=1S/C22H18FN7O/c1-24-22-19(27-29-28-22)14-7-8-25-17(9-14)20-21(30(2)12-26-20)16-6-5-15(23)10-18(16)31-11-13-3-4-13/h5-10,12-13H,3-4,11H2,2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM P...


US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2417053
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM276077
PNG
(4-[2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1[N+]#[C-] |(2.9,-3.53,;1.41,-3.92,;.5,-5.17,;-.96,-4.69,;-.96,-3.15,;.5,-2.68,;.9,-1.19,;-.19,-.1,;.21,1.39,;1.7,1.78,;2.1,3.27,;2.79,.7,;2.39,-.79,;3.48,-1.88,;4.97,-1.48,;6.05,-2.57,;6.45,-4.06,;7.54,-2.97,;-2.3,-2.38,;-2.3,-.84,;-3.63,-.07,;-4.96,-.84,;-4.96,-2.38,;-3.63,-3.15,;-3.63,1.47,;-2.38,2.37,;-2.86,3.84,;-4.4,3.84,;-4.91,2.36,;-6.38,1.88,;-7.84,1.41,)|
Show InChI InChI=1S/C22H18FN7O/c1-24-22-19(27-29-28-22)14-7-8-25-17(9-14)20-21(30(2)12-26-20)16-6-5-15(23)10-18(16)31-11-13-3-4-13/h5-10,12-13H,3-4,11H2,2H3,(H,27,28,29)
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 FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10174003 (2019)


BindingDB Entry DOI: 10.7270/Q2417053
More data for this
Ligand-Target Pair
Isoform 2 of Histone lysine demethylase PHF8 (2)


(Homo sapiens (Human))
BDBM276077
PNG
(4-[2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1[N+]#[C-] |(2.9,-3.53,;1.41,-3.92,;.5,-5.17,;-.96,-4.69,;-.96,-3.15,;.5,-2.68,;.9,-1.19,;-.19,-.1,;.21,1.39,;1.7,1.78,;2.1,3.27,;2.79,.7,;2.39,-.79,;3.48,-1.88,;4.97,-1.48,;6.05,-2.57,;6.45,-4.06,;7.54,-2.97,;-2.3,-2.38,;-2.3,-.84,;-3.63,-.07,;-4.96,-.84,;-4.96,-2.38,;-3.63,-3.15,;-3.63,1.47,;-2.38,2.37,;-2.86,3.84,;-4.4,3.84,;-4.91,2.36,;-6.38,1.88,;-7.84,1.41,)|
Show InChI InChI=1S/C22H18FN7O/c1-24-22-19(27-29-28-22)14-7-8-25-17(9-14)20-21(30(2)12-26-20)16-6-5-15(23)10-18(16)31-11-13-3-4-13/h5-10,12-13H,3-4,11H2,2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM P...


US Patent US10071984 (2018)


BindingDB Entry DOI: 10.7270/Q24Q7X0X
More data for this
Ligand-Target Pair