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BDBM50266823 CHEMBL4097435

SMILES: Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F

InChI Key: InChIKey=QOLRGZXXPUCRFH-FFXKMJQXSA-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 = 50266823   
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))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/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


(Homo sapiens (Human))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+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))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 690n/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))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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