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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCCc2c1)C(C)=O

InChI Key: InChIKey=OSISRSAJKDKLHC-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475903   
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))		BDBM475903
PNG
(US10864201, Ex. 12.4)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCCc2c1)C(C)=O |r|
Show InChI InChI=1S/C19H28N4O2/c1-13(24)22(4)16-7-9-23(12-16)18(25)15-10-14-6-5-8-19(2,3)21-17(14)20-11-15/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/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