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SMILES: CCc1sc(nc1-c1cccc(n1)C#N)N(C)C(=O)[C@@H]1CCCN1C#N

InChI Key: InChIKey=WDNHBRPZDSJTGI-AWEZNQCLSA-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 2 hits for monomerid = 445204   
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
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM445204
PNG
((S)-1-cyano-N-(4-(6-cyanopyridin-2-yl)-5-ethylthia...)
Show SMILES CCc1sc(nc1-c1cccc(n1)C#N)N(C)C(=O)[C@@H]1CCCN1C#N |r|
Show InChI InChI=1S/C18H18N6OS/c1-3-15-16(13-7-4-6-12(10-19)21-13)22-18(26-15)23(2)17(25)14-8-5-9-24(14)11-20/h4,6-7,14H,3,5,8-9H2,1-2H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 30


(Homo sapiens (Human))
BDBM445204
PNG
((S)-1-cyano-N-(4-(6-cyanopyridin-2-yl)-5-ethylthia...)
Show SMILES CCc1sc(nc1-c1cccc(n1)C#N)N(C)C(=O)[C@@H]1CCCN1C#N |r|
Show InChI InChI=1S/C18H18N6OS/c1-3-15-16(13-7-4-6-12(10-19)21-13)22-18(26-15)23(2)17(25)14-8-5-9-24(14)11-20/h4,6-7,14H,3,5,8-9H2,1-2H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair