BindingDB logo
myBDB logout

null

SMILES: CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(cc1)C#N)C(C)=O

InChI Key: InChIKey=JYYRCGWDPRZBHD-NZQKXSOJSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475887   
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))		BDBM475887
PNG
(N-[(3S)-1-[(2R)-2-(4-Cyanophenyl)-2-methyl-1H,2H,3...)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(cc1)C#N)C(C)=O |r|
Show InChI InChI=1S/C23H25N5O2/c1-15(29)27(3)20-8-9-28(14-20)22(30)18-10-17-11-23(2,26-21(17)25-13-18)19-6-4-16(12-24)5-7-19/h4-7,10,13,20H,8-9,11,14H2,1-3H3,(H,25,26)/t20-,23+/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