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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccccc1)C(C)=O

InChI Key: InChIKey=HRHRFJRQZJHBFZ-SIKLNZKXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475885   
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))		BDBM475885
PNG
(US10864201, Ex. 9.3)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccccc1)C(C)=O |r|
Show InChI InChI=1S/C22H26N4O2/c1-15(27)25(3)19-9-10-26(14-19)21(28)17-11-16-12-22(2,24-20(16)23-13-17)18-7-5-4-6-8-18/h4-8,11,13,19H,9-10,12,14H2,1-3H3,(H,23,24)/t19-,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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