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SMILES: N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1

InChI Key:

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 = 50603907   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50603907
PNG
(CHEMBL5171190)
Show SMILES N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.29E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50603907
PNG
(CHEMBL5171190)
Show SMILES N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50603907
PNG
(CHEMBL5171190)
Show SMILES N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50603907
PNG
(CHEMBL5171190)
Show SMILES N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.89E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02156
BindingDB Entry DOI: 10.7270/Q2154N4T
More data for this
Ligand-Target Pair