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BDBM50318990 (1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperidin-4-yl)(4-fluorophenyl)methanone::CHEMBL1086077

InChI string: InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2

SMILES: OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=JUCXTUIBEHQPPZ-UHFFFAOYSA-N

Data: 3 KI  1 IC50  2 EC50

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 6 hits for monomerid = 50318990   
Target
(Institution)
LigandTarget
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
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
PDB
MMDB

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PubMed
0.300n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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32n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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250n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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n/an/an/an/a 310n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
PDB
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n/an/a 32n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta2 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
Reactome pathway
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Article
PubMed
n/an/an/an/a 385n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair