BDBM50092645 (R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide::CHEMBL111201::L-796568::N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide::N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[3-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide::N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide

SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1

InChI Key InChIKey=MSOUIIHPMJCUNI-UHFFFAOYSA-N

Data  13 IC50  12 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50092645   

TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 2.30E+3nMAssay Description:Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  3.60nMAssay Description:Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  3nMAssay Description:Agonist activity (EC50) was assessed by measuring cAMP levels in CHO cells expressing cloned human Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Dog)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  25nMAssay Description:Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  7.90nMAssay Description:Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Rhesus macaque)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  17nMAssay Description:Agonist activity at rhesus monkey beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Rhesus macaque)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  0.430nMAssay Description:Agonist activity at rhesus monkey beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  3.40E+3nMAssay Description:Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 1.70E+3nMAssay Description:Displacement of [3H]-diltiazem from human Cav1.2 channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 220nMAssay Description:Binding affinity to human ERG channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextraomethorphan O-demethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  3.60nMAssay Description:In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta-3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 670nMAssay Description:Displacement of [125]I-cyanopindolol from human recombinant beta2 adrenergic receptor after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [125]I-cyanopindolol from recombinant human beta1 adrenergic receptor after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  3nMAssay Description:Agonist activity at human adrenergic beta-3 receptor expressed in CHO cells assessed as cAMP productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 2.30E+3nMAssay Description:Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  4.80E+3nMAssay Description:In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta1 receptor.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 46nMAssay Description:In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta-3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 2.30E+3nMAssay Description:Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-1 adrenergic receptor in the presence of [125I]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataIC50: 2.30E+3nMAssay Description:Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-2 adrenergic receptor in the presence of [125I]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50092645(N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-...)
Affinity DataEC50:  2.40E+3nMAssay Description:In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta-2 receptor.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed