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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1CC(F)(F)C1

InChI Key: InChIKey=QUOIAAVRRXXDBR-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475853   
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))		BDBM475853
PNG
(US10864201, Ex. 2.4)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H26F2N4O2/c1-19(2)7-12-6-13(10-23-16(12)24-19)18(28)26-5-4-15(11-26)25(3)17(27)14-8-20(21,22)9-14/h6,10,14-15H,4-5,7-9,11H2,1-3H3,(H,23,24)/t15-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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