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BDBM301024 4-(5-chloro-2-{[(3S)-pyrrolidin-3- ylmethyl]amino}pyrimidin-4- yl)benzonitrile::US10131664, Example 17::US10543198, Example 17

SMILES: Clc1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N

InChI Key: InChIKey=OAFLMLQGRZSYHH-LBPRGKRZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 301024   
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))
BDBM301024
PNG
(4-(5-chloro-2-{[(3S)-pyrrolidin-3- ylmethyl]amino}...)
Show SMILES Clc1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H16ClN5/c17-14-10-21-16(20-9-12-5-6-19-8-12)22-15(14)13-3-1-11(7-18)2-4-13/h1-4,10,12,19H,5-6,8-9H2,(H,20,21,22)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



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 US10543198 (2020)


BindingDB Entry DOI: 10.7270/Q29G5Q6H
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM301024
PNG
(4-(5-chloro-2-{[(3S)-pyrrolidin-3- ylmethyl]amino}...)
Show SMILES Clc1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H16ClN5/c17-14-10-21-16(20-9-12-5-6-19-8-12)22-15(14)13-3-1-11(7-18)2-4-13/h1-4,10,12,19H,5-6,8-9H2,(H,20,21,22)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US10131664 (2018)


BindingDB Entry DOI: 10.7270/Q2JD4ZV1
More data for this
Ligand-Target Pair