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BDBM270464 US10059668, Example 27::US10059668, Example 37

SMILES: O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1

InChI Key: InChIKey=PEEHAIGJGOIPCL-RRPNLBNLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 270464   
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))
BDBM270464
PNG
(US10059668, Example 27 | US10059668, Example 37)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(30-35(33,34)25-9-5-2-6-10-25)23-13-11-21(12-14-23)20-31-17-15-24(16-18-31)29-27-19-26(27)22-7-3-1-4-8-22/h1-14,24,26-27,29H,15-20H2,(H,30,32)/t26-,27+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

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


(Homo sapiens (Human))
BDBM270464
PNG
(US10059668, Example 27 | US10059668, Example 37)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O3S/c32-28(30-35(33,34)25-9-5-2-6-10-25)23-13-11-21(12-14-23)20-31-17-15-24(16-18-31)29-27-19-26(27)22-7-3-1-4-8-22/h1-14,24,26-27,29H,15-20H2,(H,30,32)/t26-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 58n/an/an/an/a7.525



Mirati Therapeutics, Inc.

US Patent


Assay Description
Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 1...


US Patent US10059668 (2018)

More data for this
Ligand-Target Pair