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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NCCCCc2c1)C(C)=O

InChI Key: InChIKey=YAGDMIQODBIKRQ-HNNXBMFYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475902   
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
Pantetheinase


(Homo sapiens (Human))		BDBM475902
PNG
(US10864201, Ex. 12.3)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NCCCCc2c1)C(C)=O |r|
Show InChI InChI=1S/C17H24N4O2/c1-12(22)20(2)15-6-8-21(11-15)17(23)14-9-13-5-3-4-7-18-16(13)19-10-14/h9-10,15H,3-8,11H2,1-2H3,(H,18,19)/t15-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...

US Patent US10864201 (2020)

More data for this
Ligand-Target Pair