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BDBM50505660 CHEMBL4581561

SMILES: Cl.CN(C)S(=O)(=O)c1ccc(cc1)-c1cn(C\C(F)=C\CN)nn1

InChI Key: InChIKey=BJDMCRTVXBNOKL-GHXNOFRVSA-N

Data: 2 IC50

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 = 50505660   
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
Protein-lysine 6-oxidase


(Bos taurus)
BDBM50505660
PNG
(CHEMBL4581561)
Show SMILES Cl.CN(C)S(=O)(=O)c1ccc(cc1)-c1cn(C\C(F)=C\CN)nn1
Show InChI InChI=1S/C14H18FN5O2S/c1-19(2)23(21,22)13-5-3-11(4-6-13)14-10-20(18-17-14)9-12(15)7-8-16/h3-7,10H,8-9,16H2,1-2H3/b12-7-
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of LOX in bovine aorta using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured ever...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50505660
PNG
(CHEMBL4581561)
Show SMILES Cl.CN(C)S(=O)(=O)c1ccc(cc1)-c1cn(C\C(F)=C\CN)nn1
Show InChI InChI=1S/C14H18FN5O2S/c1-19(2)23(21,22)13-5-3-11(4-6-13)14-10-20(18-17-14)9-12(15)7-8-16/h3-7,10H,8-9,16H2,1-2H3/b12-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincuba...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
More data for this
Ligand-Target Pair