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SMILES: CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1

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 2 hits for monomerid = 50615797   
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
Hematopoietic prostaglandin D synthase


(Rattus norvegicus)
BDBM50615797
PNG
(CHEMBL5282861)
Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:6.8,wD:4.3,(7.82,3.82,;7.05,2.48,;6.28,3.82,;8.39,1.71,;5.72,1.71,;4.23,2.11,;3.83,.6,;5.31,.2,;2.49,-.18,;1.16,.59,;1.16,2.13,;-.18,-.18,;-.18,-1.71,;-1.51,-2.48,;-2.84,-1.71,;-4.18,-2.48,;-5.51,-1.71,;-6.84,-2.48,;-7.62,-3.82,;-8.39,-2.48,;-5.51,-.18,;-6.84,.59,;-4.18,.59,;-2.84,-.18,;-1.51,.59,)|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 11n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))
BDBM50615797
PNG
(CHEMBL5282861)
Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:6.8,wD:4.3,(7.82,3.82,;7.05,2.48,;6.28,3.82,;8.39,1.71,;5.72,1.71,;4.23,2.11,;3.83,.6,;5.31,.2,;2.49,-.18,;1.16,.59,;1.16,2.13,;-.18,-.18,;-.18,-1.71,;-1.51,-2.48,;-2.84,-1.71,;-4.18,-2.48,;-5.51,-1.71,;-6.84,-2.48,;-7.62,-3.82,;-8.39,-2.48,;-5.51,-.18,;-6.84,.59,;-4.18,.59,;-2.84,-.18,;-1.51,.59,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair