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SMILES: CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl

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 3 hits for monomerid = 50588243   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50588243
PNG
(CHEMBL5183827)
Show SMILES CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50588243
PNG
(CHEMBL5183827)
Show SMILES CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50588243
PNG
(CHEMBL5183827)
Show SMILES CCNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CO[C@@H](C)[C@H]3N)CC2)c1Cl |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01132
BindingDB Entry DOI: 10.7270/Q2JS9VC6
More data for this
Ligand-Target Pair