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BDBM50146154 KRP-114V::MK-4618::VIBEGRON::Vibegron

SMILES: [H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1

InChI Key: InChIKey=DJXRIQMCROIRCZ-XOEOCAAJSA-N

Data: 13 IC50  8 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 21 hits for monomerid = 50146154   
Target/Host
(Institution)
LigandTarget/Host
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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 channel expressed in Xenopus oocytes by two-intracellular microelectrode voltage clamp method


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-1 adrenergic recepto


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125]I-cyanopindolol from recombinant human beta1 adrenergic receptor after 1 hr by scintillation counting method


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125]I-cyanopindolol from human recombinant beta2 adrenergic receptor after 1 hr by scintillation counting method


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes assessed as dextraomethorphan O-demethylation


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG channel


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from human Cav1.2 channel


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 in human liver microsomes


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Macaca mulatta)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 0.570n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay 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


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 122n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in presence ...


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Macaca mulatta)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay 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...


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay 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...


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human PX receptor


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair