BDBM50205365 CHEMBL3925977

SMILES OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1

InChI Key InChIKey=AUJBUPBEDOLIFD-UHFFFAOYSA-N

Data  4 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50205365   

TargetHistamine H3 receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50205365(CHEMBL3925977)
Show SMILES OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
Affinity DataKi:  1.30nMAssay Description:Antagonist activity at human Histamine H3 receptor expressed in CHO cell membranes assessed as inhibition of histamine-induced [35S]GTPgammaS binding...More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50205365(CHEMBL3925977)
Show SMILES OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
Affinity DataKi: <2.00E+3nMAssay Description:Antagonist activity at adrenergic alpha1A receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...More data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50205365(CHEMBL3925977)
Show SMILES OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
Affinity DataKi: <2.00E+3nMAssay Description:Antagonist activity at adrenergic alpha1B receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...More data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50205365(CHEMBL3925977)
Show SMILES OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
Affinity DataKi: <2.51E+3nMAssay Description:Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 3...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50205365(CHEMBL3925977)
Show SMILES OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
Affinity DataIC50: 3.16E+4nMAssay Description:Displacement of [3H]-dofetilide from human ERG expressed in CHOK1 cell membranes incubated for 4 hrs in dark by luminescent assayMore data for this Ligand-Target Pair