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BDBM304052 4-{5-(4-methylphenyl)-2-[(1-methyl-1H-pyrazol-3-yl)methyl]-3-oxo-8-[(3R)-pyrrolidin-3-ylmethoxy]-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-6-yl}benzonitrile::US10138249, Example 9::US9758523, Example 9

SMILES: Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(Cc3ccn(C)n3)c(=O)n12)-c1ccc(cc1)C#N

InChI Key: InChIKey=KUMRFZXLIVJLMV-JOCHJYFZSA-N

Data: 2 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 2 hits for monomerid = 304052   
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))
BDBM304052
PNG
(4-{5-(4-methylphenyl)-2-[(1-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(Cc3ccn(C)n3)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H29N7O2/c1-20-3-7-24(8-4-20)28-26(23-9-5-21(16-31)6-10-23)15-27(39-19-22-11-13-32-17-22)29-34-36(30(38)37(28)29)18-25-12-14-35(2)33-25/h3-10,12,14-15,22,32H,11,13,17-19H2,1-2H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay 10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US9758523 (2017)

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


(Homo sapiens (Human))
BDBM304052
PNG
(4-{5-(4-methylphenyl)-2-[(1-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(Cc3ccn(C)n3)c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H29N7O2/c1-20-3-7-24(8-4-20)28-26(23-9-5-21(16-31)6-10-23)15-27(39-19-22-11-13-32-17-22)29-34-36(30(38)37(28)29)18-25-12-14-35(2)33-25/h3-10,12,14-15,22,32H,11,13,17-19H2,1-2H3/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10138249 (2018)

More data for this
Ligand-Target Pair