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SMILES: OC[C@@H](N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1)C(F)(F)F

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 = 50615788   
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)
BDBM50615788
PNG
(CHEMBL5272443)
Show SMILES OC[C@@H](N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1)C(F)(F)F |r,wU:7.10,wD:4.3,2.29,(10.1,2.59,;8.76,3.36,;7.43,2.59,;6.1,3.36,;4.76,2.59,;3.43,3.36,;2.1,2.59,;2.1,1.05,;3.43,.28,;4.76,1.05,;.76,.28,;-.57,1.05,;-.57,2.59,;-1.91,.28,;-1.91,-1.26,;-3.24,-2.03,;-4.57,-1.26,;-5.89,-2.02,;-7.22,-1.26,;-7.22,.27,;-5.91,1.04,;-4.57,.28,;-3.24,1.05,;-8.56,-2.03,;-9.33,-3.36,;-10.1,-2.03,;7.43,1.05,;8.76,.28,;6.1,.28,;7.43,-.49,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 310n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50615788
PNG
(CHEMBL5272443)
Show SMILES OC[C@@H](N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1)C(F)(F)F |r,wU:7.10,wD:4.3,2.29,(10.1,2.59,;8.76,3.36,;7.43,2.59,;6.1,3.36,;4.76,2.59,;3.43,3.36,;2.1,2.59,;2.1,1.05,;3.43,.28,;4.76,1.05,;.76,.28,;-.57,1.05,;-.57,2.59,;-1.91,.28,;-1.91,-1.26,;-3.24,-2.03,;-4.57,-1.26,;-5.89,-2.02,;-7.22,-1.26,;-7.22,.27,;-5.91,1.04,;-4.57,.28,;-3.24,1.05,;-8.56,-2.03,;-9.33,-3.36,;-10.1,-2.03,;7.43,1.05,;8.76,.28,;6.1,.28,;7.43,-.49,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 31n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair