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SMILES: CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccc(C)c(n1)C#N

InChI Key: InChIKey=AFWVFDKSXQAVKQ-HNNXBMFYSA-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 = 445174   
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))
BDBM445174
PNG
((S)-1-Cyano-N-(4-(6-cyano-5-methylpyridin-2-yl)thi...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccc(C)c(n1)C#N |r|
Show InChI InChI=1S/C17H16N6OS/c1-11-5-6-12(20-13(11)8-18)14-9-25-17(21-14)22(2)16(24)15-4-3-7-23(15)10-19/h5-6,9,15H,3-4,7H2,1-2H3/t15-/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))
BDBM445174
PNG
((S)-1-Cyano-N-(4-(6-cyano-5-methylpyridin-2-yl)thi...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccc(C)c(n1)C#N |r|
Show InChI InChI=1S/C17H16N6OS/c1-11-5-6-12(20-13(11)8-18)14-9-25-17(21-14)22(2)16(24)15-4-3-7-23(15)10-19/h5-6,9,15H,3-4,7H2,1-2H3/t15-/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