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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 = 'BDBM50615811'   
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))
BDBM50615811
PNG
(CHEMBL5272869)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(N3CCC3)c(Cl)cc2c1 |r,wU:7.10,wD:4.3,(8.38,4.12,;7.6,2.78,;6.83,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-7.05,-2.61,;-7.45,-4.12,;-8.94,-3.72,;-8.53,-2.21,;-5.71,-.31,;-7.05,.46,;-4.4,.46,;-3.06,-.3,;-1.74,.48,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.40n/an/an/an/an/an/a


TBA



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


(Rattus norvegicus)
BDBM50615811
PNG
(CHEMBL5272869)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(N3CCC3)c(Cl)cc2c1 |r,wU:7.10,wD:4.3,(8.38,4.12,;7.6,2.78,;6.83,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-7.05,-2.61,;-7.45,-4.12,;-8.94,-3.72,;-8.53,-2.21,;-5.71,-.31,;-7.05,.46,;-4.4,.46,;-3.06,-.3,;-1.74,.48,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3.90n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair