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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Canis familiaris) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human ERG channel | J Med Chem 59: 609-23 (2016) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium channel (Type L) (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes | J Med Chem 59: 609-23 (2016) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes | J Med Chem 59: 609-23 (2016) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes | J Med Chem 59: 609-23 (2016) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes | J Med Chem 59: 609-23 (2016) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor beta (Rattus norvegicus) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Macaca mulatta) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.570 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor beta (Rattus norvegicus) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 122 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Macaca mulatta) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 7.10 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Activation of human PX receptor | J Med Chem 59: 609-23 (2016) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50146154 (KRP-114V | MK-4618 | VIBEGRON | Vibegron) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2M047B3 | |||||||||||
More data for this Ligand-Target Pair |