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BDBM490203 N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tetrahydro-2H- pyran-4-ylmethyl)- amino)cyclopropyl)- thiophene-3- carboxamide::US10968213, Example 81

SMILES: Cc1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)no1

InChI Key: InChIKey=NEEVDAJZAXQIQT-LSDHHAIUSA-N

Data: 3 IC50

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 3 hits for monomerid = 490203   
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))
BDBM490203
PNG
(N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...)
Show SMILES Cc1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)16-7-13(10-25-16)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and...


US Patent US10968213 (2021)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM490203
PNG
(N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...)
Show SMILES Cc1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)16-7-13(10-25-16)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US10968213 (2021)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM490203
PNG
(N-(5-methyl-1,2- oxazol-3-yl)-5- ((1R,2R)-2- ((tet...)
Show SMILES Cc1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Show InChI InChI=1S/C18H23N3O3S/c1-11-6-17(21-24-11)20-18(22)16-7-13(10-25-16)14-8-15(14)19-9-12-2-4-23-5-3-12/h6-7,10,12,14-15,19H,2-5,8-9H2,1H3,(H,20,21,22)/t14-,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US10968213 (2021)

More data for this
Ligand-Target Pair