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SMILES: N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1

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 = 50603908   
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))
BDBM50603908
PNG
(CHEMBL5177857)
Show SMILES N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.82E+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))
BDBM50603908
PNG
(CHEMBL5177857)
Show SMILES N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|
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))
BDBM50603908
PNG
(CHEMBL5177857)
Show SMILES N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.63E+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
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50603908
PNG
(CHEMBL5177857)
Show SMILES N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.48E+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