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BDBM50266837 CHEMBL4100783

SMILES: Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F

InChI Key: InChIKey=RGGVYVZFTJNTOA-UTONKHPSSA-N

Data: 4 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 4 hits for monomerid = 50266837   
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
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266837
PNG
(CHEMBL4100783)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
PDB

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AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as reduction of H2O2 production from oxidative deamination of DAP prein...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens (Human))
BDBM50266837
PNG
(CHEMBL4100783)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs foll...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266837
PNG
(CHEMBL4100783)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 88n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266837
PNG
(CHEMBL4100783)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair