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SMILES: Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2

InChI Key: InChIKey=LVROIBOZAMGARG-LARUCZGFSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 456541   
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))
BDBM456541
PNG
(US10723742, Example 270 | US10723742, Example 276)
Show SMILES Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:40:39:37.36:34|
Show InChI InChI=1S/C32H30F2N6O2/c1-17-29(34)24(14-27-30(17)39(38-37-27)16-32(42)9-2-10-32)22-7-5-19(31(41)40-21-6-8-28(40)26(36)13-21)11-23(22)18-3-4-20(15-35)25(33)12-18/h3-5,7,11-12,14,21,26,28,42H,2,6,8-10,13,16,36H2,1H3/t21-,26+,28+/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 0.390n/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))
BDBM456541
PNG
(US10723742, Example 270 | US10723742, Example 276)
Show SMILES Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:40:39:37.36:34|
Show InChI InChI=1S/C32H30F2N6O2/c1-17-29(34)24(14-27-30(17)39(38-37-27)16-32(42)9-2-10-32)22-7-5-19(31(41)40-21-6-8-28(40)26(36)13-21)11-23(22)18-3-4-20(15-35)25(33)12-18/h3-5,7,11-12,14,21,26,28,42H,2,6,8-10,13,16,36H2,1H3/t21-,26+,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.150n/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