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SMILES: CC1(C)CCc2cc(cnc2N1)C(=O)N1CC2(C1)CCOCC2

InChI Key: InChIKey=QDMSNPPSGLTSPF-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 = 475889   
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))		BDBM475889
PNG
(US10864201, Ex. 11.2)
Show SMILES CC1(C)CCc2cc(cnc2N1)C(=O)N1CC2(C1)CCOCC2
Show InChI InChI=1S/C18H25N3O2/c1-17(2)4-3-13-9-14(10-19-15(13)20-17)16(22)21-11-18(12-21)5-7-23-8-6-18/h9-10H,3-8,11-12H2,1-2H3,(H,19,20)
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