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SMILES: Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2

InChI Key: InChIKey=CYIYQAJJCKFHDX-UHFFFAOYSA-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 = 456530   
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))
BDBM456530
PNG
(US10723742, Example 259 | US10723742, Example 272)
Show SMILES Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
Show InChI InChI=1S/C33H32F2N6O2/c1-18-30(35)27(15-29-31(18)40(39-38-29)17-33(43)9-2-10-33)25-8-5-20(11-26(25)19-3-4-21(16-36)28(34)12-19)32(42)41-23-6-7-24(41)14-22(37)13-23/h3-5,8,11-12,15,22-24,43H,2,6-7,9-10,13-14,17,37H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.320n/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))
BDBM456530
PNG
(US10723742, Example 259 | US10723742, Example 272)
Show SMILES Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
Show InChI InChI=1S/C33H32F2N6O2/c1-18-30(35)27(15-29-31(18)40(39-38-29)17-33(43)9-2-10-33)25-8-5-20(11-26(25)19-3-4-21(16-36)28(34)12-19)32(42)41-23-6-7-24(41)14-22(37)13-23/h3-5,8,11-12,15,22-24,43H,2,6-7,9-10,13-14,17,37H2,1H3
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