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SMILES: COc1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O

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 = 50615773   
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)
BDBM50615773
PNG
(CHEMBL5274762)
Show SMILES COc1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 150n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50615773
PNG
(CHEMBL5274762)
Show SMILES COc1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair