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SMILES: C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O)c1ccc(F)cc1

InChI Key: InChIKey=NVARLIHJRLTQJD-WMZHIEFXSA-N

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

Found 1 hit for monomerid = 475862   
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))		BDBM475862
PNG
(US10864201, Ex. 5.3)
Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H25FN4O2/c1-23(17-4-6-18(24)7-5-17)12-15-11-16(13-25-21(15)26-23)22(30)27-10-8-19(14-27)28-9-2-3-20(28)29/h4-7,11,13,19H,2-3,8-10,12,14H2,1H3,(H,25,26)/t19-,23+/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/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