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SMILES: CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2

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 = 50567827   
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
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50567827
PNG
(CHEMBL4873139)
Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2 |TLB:33:35:42:38.39,(16.11,-27.82,;14.75,-27.09,;13.44,-27.89,;13.49,-29.43,;12.17,-30.24,;10.82,-29.51,;10.78,-27.97,;9.42,-27.23,;8.11,-28.04,;12.09,-27.16,;12.05,-25.63,;10.73,-24.87,;9.39,-25.64,;7.89,-25.23,;7.5,-23.74,;6.8,-26.32,;10.73,-23.33,;12.05,-22.55,;13.38,-23.33,;14.72,-22.55,;16.12,-23.18,;17.16,-22.04,;16.39,-20.71,;14.88,-21.02,;18.68,-22.21,;19.3,-23.62,;20.83,-23.79,;21.74,-22.54,;23.27,-22.71,;21.11,-21.13,;19.58,-20.97,;13.38,-24.87,;14.72,-25.64,;9.39,-22.56,;8.06,-23.33,;9.39,-21.02,;8.41,-20.21,;6.57,-20.21,;5.58,-21.56,;6.76,-20.84,;7.36,-19.51,;9.12,-19.47,;6.3,-18.67,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50567827
PNG
(CHEMBL4873139)
Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2 |TLB:33:35:42:38.39,(16.11,-27.82,;14.75,-27.09,;13.44,-27.89,;13.49,-29.43,;12.17,-30.24,;10.82,-29.51,;10.78,-27.97,;9.42,-27.23,;8.11,-28.04,;12.09,-27.16,;12.05,-25.63,;10.73,-24.87,;9.39,-25.64,;7.89,-25.23,;7.5,-23.74,;6.8,-26.32,;10.73,-23.33,;12.05,-22.55,;13.38,-23.33,;14.72,-22.55,;16.12,-23.18,;17.16,-22.04,;16.39,-20.71,;14.88,-21.02,;18.68,-22.21,;19.3,-23.62,;20.83,-23.79,;21.74,-22.54,;23.27,-22.71,;21.11,-21.13,;19.58,-20.97,;13.38,-24.87,;14.72,-25.64,;9.39,-22.56,;8.06,-23.33,;9.39,-21.02,;8.41,-20.21,;6.57,-20.21,;5.58,-21.56,;6.76,-20.84,;7.36,-19.51,;9.12,-19.47,;6.3,-18.67,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 94n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair