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SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)c1ncccn1

InChI Key: InChIKey=ULLJSQVAZBGCFH-INIZCTEOSA-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 = 475890   
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))		BDBM475890
PNG
(US10864201, Ex. 11.3)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)c1ncccn1 |r|
Show InChI InChI=1S/C20H26N6O/c1-20(2)7-5-14-11-15(12-23-17(14)24-20)18(27)26-10-6-16(13-26)25(3)19-21-8-4-9-22-19/h4,8-9,11-12,16H,5-7,10,13H2,1-3H3,(H,23,24)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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