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SMILES: CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)N1CC(F)C1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50615804   
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)
BDBM50615804
PNG
(CHEMBL5283710)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)N1CC(F)C1 |r,wU:7.10,wD:4.3,(9.04,4.3,;8.27,2.97,;7.5,4.3,;9.61,2.2,;6.94,2.2,;5.6,2.97,;4.27,2.2,;4.27,.66,;5.6,-.11,;6.94,.66,;2.94,-.11,;1.6,.66,;1.6,2.2,;.27,-.11,;.27,-1.65,;-1.06,-2.42,;-2.4,-1.65,;-3.72,-2.41,;-5.05,-1.65,;-5.05,-.13,;-3.73,.65,;-2.4,-.12,;-1.07,.66,;-6.38,-2.42,;-6.78,-3.93,;-8.27,-3.53,;-9.61,-4.3,;-7.87,-2.02,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.00E+3n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50615804
PNG
(CHEMBL5283710)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)N1CC(F)C1 |r,wU:7.10,wD:4.3,(9.04,4.3,;8.27,2.97,;7.5,4.3,;9.61,2.2,;6.94,2.2,;5.6,2.97,;4.27,2.2,;4.27,.66,;5.6,-.11,;6.94,.66,;2.94,-.11,;1.6,.66,;1.6,2.2,;.27,-.11,;.27,-1.65,;-1.06,-2.42,;-2.4,-1.65,;-3.72,-2.41,;-5.05,-1.65,;-5.05,-.13,;-3.73,.65,;-2.4,-.12,;-1.07,.66,;-6.38,-2.42,;-6.78,-3.93,;-8.27,-3.53,;-9.61,-4.3,;-7.87,-2.02,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair