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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic prostaglandin D synthase' and Ligand = 'BDBM50615786'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))
BDBM50615786
PNG
(CHEMBL5289296)
Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:6.8,wD:4.3,(7.81,3.82,;7.04,2.48,;6.27,3.82,;8.38,1.71,;5.71,1.71,;4.22,2.11,;3.82,.6,;5.3,.2,;2.48,-.17,;1.15,.6,;1.15,2.14,;-.18,-.17,;-.18,-1.71,;-1.52,-2.48,;-2.85,-1.71,;-4.17,-2.48,;-5.5,-1.71,;-5.5,-.19,;-4.19,.59,;-2.85,-.18,;-1.52,.6,;-6.83,-2.48,;-7.61,-3.82,;-8.38,-2.48,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 65n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus)
BDBM50615786
PNG
(CHEMBL5289296)
Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:6.8,wD:4.3,(7.81,3.82,;7.04,2.48,;6.27,3.82,;8.38,1.71,;5.71,1.71,;4.22,2.11,;3.82,.6,;5.3,.2,;2.48,-.17,;1.15,.6,;1.15,2.14,;-.18,-.17,;-.18,-1.71,;-1.52,-2.48,;-2.85,-1.71,;-4.17,-2.48,;-5.5,-1.71,;-5.5,-.19,;-4.19,.59,;-2.85,-.18,;-1.52,.6,;-6.83,-2.48,;-7.61,-3.82,;-8.38,-2.48,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 280n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair