BindingDB logo
myBDB logout

BDBM369554 US10233152, Example 75

SMILES: CS(=O)(=O)NC(=O)\C=C\c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1

InChI Key: InChIKey=GNKVZGQLNSWCMM-UHYUOSSANA-N

Data: 1 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 1 hit for monomerid = 369554   
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))
BDBM369554
PNG
(US10233152, Example 75)
Show SMILES CS(=O)(=O)NC(=O)\C=C\c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1
Show InChI InChI=1/C27H35N3O4S/c1-35(32,33)29-27(31)13-10-21-8-11-24(12-9-21)34-19-5-16-30-17-14-23(15-18-30)28-26-20-25(26)22-6-3-2-4-7-22/h2-4,6-13,23,25-26,28H,5,14-20H2,1H3,(H,29,31)/b13-10+/t25-,26+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



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 US10233152 (2019)

More data for this
Ligand-Target Pair