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SMILES: CC1(C)CCc2cc(cnc2N1)C(=O)N1CCC2(C1)CCOCC2

InChI Key: InChIKey=LGPYWVKXYUZRQY-UHFFFAOYSA-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 = 475888   
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))		BDBM475888
PNG
(US10864201, Ex. 11.1)
Show SMILES CC1(C)CCc2cc(cnc2N1)C(=O)N1CCC2(C1)CCOCC2
Show InChI InChI=1S/C19H27N3O2/c1-18(2)4-3-14-11-15(12-20-16(14)21-18)17(23)22-8-5-19(13-22)6-9-24-10-7-19/h11-12H,3-10,13H2,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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