BDBM50615780 CHEMBL5285108

SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1

InChI Key InChIKey=VEKOTFOGNGVLSE-QAQDUYKDSA-N

Data  4 IC50  1 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50615780   

TargetHematopoietic prostaglandin D synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50615780(CHEMBL5285108)
Affinity DataIC50:  9.40nMAssay Description:Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE3 cells assessed as reduction in PGD2 production using PGH2 as substrate by RapidFire...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHematopoietic prostaglandin D synthase(Rattus norvegicus)TBA
LigandPNGBDBM50615780(CHEMBL5285108)
Affinity DataEC50:  42nMAssay Description:Inhibition of H-PGDS in rat RBL cells assessed as reduction in A23187-induced PGD2 production pretreated for 30 mins followed by A23187 addition for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
LigandPNGBDBM50615780(CHEMBL5285108)
Affinity DataIC50: >8.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetProstaglandin-H2 D-isomerase(Homo sapiens (Human))TBA
LigandPNGBDBM50615780(CHEMBL5285108)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of L-PGDS (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50615780(CHEMBL5285108)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetHematopoietic prostaglandin D synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50615780(CHEMBL5285108)
Affinity DataKd:  0.240nMAssay Description:Binding affinity to human H-PGDS expressed in Escherichia coli BL21 DE3 cells assessed as equilibrium dissociation constant by measuring changes in i...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB