BDBM50441506 CHEMBL2436625

SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1

InChI Key InChIKey=BMWUIIPULBWCPO-UHFFFAOYSA-N

Data  1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441506   

TargetHistamine H3 receptor(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50441506(CHEMBL2436625)
Show SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50441506(CHEMBL2436625)
Show SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50441506(CHEMBL2436625)
Show SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair