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SMILES: Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 608514   
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))
BDBM608514
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r,wD:29.33,(-2.37,3.52,;-2.37,1.98,;-1.04,1.21,;-1.04,-.33,;-2.37,-1.1,;-3.71,-.33,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;.29,-1.1,;.29,-2.64,;1.63,-3.41,;2.96,-2.64,;3.12,-4.17,;4.63,-4.49,;5.4,-5.83,;6.94,-5.83,;7.71,-4.49,;6.94,-3.16,;5.4,-3.16,;4.37,-2.02,;5.14,-.68,;2.96,-1.1,;1.63,-.33,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 270n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JS9VKW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM608514
PNG
((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...)
Show SMILES Cc1nc(nc(C(N)=O)c1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r,wD:29.33,(-2.37,3.52,;-2.37,1.98,;-1.04,1.21,;-1.04,-.33,;-2.37,-1.1,;-3.71,-.33,;-5.04,-1.1,;-5.04,-2.64,;-6.37,-.33,;-3.71,1.21,;-5.04,1.98,;-6.37,1.21,;-7.71,1.98,;-7.71,3.52,;-6.37,4.29,;-6.37,5.83,;-5.04,3.52,;-3.71,4.29,;.29,-1.1,;.29,-2.64,;1.63,-3.41,;2.96,-2.64,;3.12,-4.17,;4.63,-4.49,;5.4,-5.83,;6.94,-5.83,;7.71,-4.49,;6.94,-3.16,;5.4,-3.16,;4.37,-2.02,;5.14,-.68,;2.96,-1.1,;1.63,-.33,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JS9VKW
More data for this
Ligand-Target Pair