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SMILES: CC(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1)C(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 = 50615794   
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)
BDBM50615794
PNG
(CHEMBL5290809)
Show SMILES CC(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1)C(F)F |r,wU:6.9,wD:3.2,(7.44,.28,;7.44,1.82,;6.11,2.59,;4.77,1.82,;3.44,2.59,;2.1,1.82,;2.1,.28,;3.44,-.49,;4.77,.28,;.77,-.49,;-.57,.28,;-.57,1.82,;-1.9,-.49,;-1.9,-2.03,;-3.23,-2.8,;-4.57,-2.03,;-5.9,-2.8,;-7.24,-2.03,;-7.24,-.49,;-5.9,.28,;-4.57,-.49,;-3.23,.28,;-8.57,-2.8,;-9.34,-4.13,;-10.11,-2.8,;8.77,2.59,;8.77,4.13,;10.11,1.82,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 28n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50615794
PNG
(CHEMBL5290809)
Show SMILES CC(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1)C(F)F |r,wU:6.9,wD:3.2,(7.44,.28,;7.44,1.82,;6.11,2.59,;4.77,1.82,;3.44,2.59,;2.1,1.82,;2.1,.28,;3.44,-.49,;4.77,.28,;.77,-.49,;-.57,.28,;-.57,1.82,;-1.9,-.49,;-1.9,-2.03,;-3.23,-2.8,;-4.57,-2.03,;-5.9,-2.8,;-7.24,-2.03,;-7.24,-.49,;-5.9,.28,;-4.57,-.49,;-3.23,.28,;-8.57,-2.8,;-9.34,-4.13,;-10.11,-2.8,;8.77,2.59,;8.77,4.13,;10.11,1.82,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair