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SMILES: C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O)c1ccc(Cl)cc1

InChI Key: InChIKey=AGLBDDCXWRGOEO-PGRDOPGGSA-N

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

Found 1 hit for monomerid = 475874   
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))		BDBM475874
PNG
(US10864201, Ex. 8.2)
Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClN4O3/c1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29/h2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25)/t18-,22+/m0/s1
PDB

UniProtKB/SwissProt

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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