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SMILES: C[C@H](Oc1ncc(cc1N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1

InChI Key: InChIKey=XNIKOBYJUQOWCT-SFHVURJKSA-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 = 300379   
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
NADPH oxidase 1


(Homo sapiens (Human))		BDBM300379
PNG
(US10130619, Example 69)
Show SMILES C[C@H](Oc1ncc(cc1N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27N7O2S/c1-18(19-6-4-3-5-7-19)35-24-22(33-14-12-32(2)13-15-33)16-21(17-28-24)23(34)29-26-31-30-25(36-26)20-8-10-27-11-9-20/h3-11,16-18H,12-15H2,1-2H3,(H,29,31,34)/t18-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
 55n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...

US Patent US10130619 (2018)


BindingDB Entry DOI: 10.7270/Q2Q52RPP
More data for this
Ligand-Target Pair