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SMILES: N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F

InChI Key: InChIKey=YQEKWJRFNFPQMT-LUPFDQBXSA-N

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

Found 2 hits for monomerid = 456531   
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 histone demethylase 1A


(Homo sapiens (Human))
BDBM456531
PNG
(US10723742, Example 260 | US10723742, Example 263)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7|
Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.520n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...


US Patent US10723742 (2020)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM456531
PNG
(US10723742, Example 260 | US10723742, Example 263)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7|
Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.140n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...


US Patent US10723742 (2020)

More data for this
Ligand-Target Pair