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SMILES: Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2

InChI Key: InChIKey=NKLBCOQIDSFPKT-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 2 hits for monomerid = 456304   
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))
BDBM456304
PNG
(US10723742, Example 123 | US10723742, Example 23)
Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.120n/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))
BDBM456304
PNG
(US10723742, Example 123 | US10723742, Example 23)
Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.180n/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