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BDBM292090 4-[4-(1,2,3,3a,4,6,7,7a- octahydropyrrolo[3,4-c]pyridin-5-yl)-1-(4- cyclopropylphenyl)-6-oxopyrimidin-2-yl]- 2-fluorobenzonitrile::US10100046, Example 28

SMILES: Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2CNCC2C1

InChI Key: InChIKey=VOLKYVYXKVIHMQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 292090   
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))
BDBM292090
PNG
(4-[4-(1,2,3,3a,4,6,7,7a- octahydropyrrolo[3,4-c]py...)
Show SMILES Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2CNCC2C1
Show InChI InChI=1S/C27H26FN5O/c28-24-11-19(3-4-20(24)13-29)27-31-25(32-10-9-21-14-30-15-22(21)16-32)12-26(34)33(27)23-7-5-18(6-8-23)17-1-2-17/h3-8,11-12,17,21-22,30H,1-2,9-10,14-16H2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair