BindingDB logo
myBDB logout

null

SMILES: O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=LLMBKWYRWGXDAQ-WUFINQPMSA-N

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 1 hit for monomerid = 270475   
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))		BDBM270475
PNG
(US10059668, Example 38)
Show SMILES O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H33N3O3S/c33-29(31-36(34,35)26-9-5-2-6-10-26)19-22-11-13-23(14-12-22)21-32-17-15-25(16-18-32)30-28-20-27(28)24-7-3-1-4-8-24/h1-14,25,27-28,30H,15-21H2,(H,31,33)/t27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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)


BindingDB Entry DOI: 10.7270/Q2ZC84XW
More data for this
Ligand-Target Pair