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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(CCc2c1)c1ccccc1)C(C)=O

InChI Key: InChIKey=WZQHHXWADAWCBZ-AJZOCDQUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475901   
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))		BDBM475901
PNG
(US10864201, Ex. 12.2)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(CCc2c1)c1ccccc1)C(C)=O |r|
Show InChI InChI=1S/C23H28N4O2/c1-16(28)26(3)20-10-12-27(15-20)22(29)18-13-17-9-11-23(2,25-21(17)24-14-18)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,25)/t20-,23?/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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