BDBM50654931 CHEMBL6167995

SMILES CN(C)CC[C@@H](Oc1cccc2c1OCO2)c1ccc(F)cc1

InChI Key InChIKey=XFCIOLPMKMDDNQ-UHFFFAOYSA-N

Data  22 KI  4 IC50

  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 26 hits for monomerid = 50654931   

TargetTransporter(Rat)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi:  2.30nMAssay Description:Inhibition of PI3Kbeta (unknown origin) by cell based assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSodium-dependent serotonin transporter(Rat)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi:  5.80nMAssay Description:Antagonist activity against HIV-1 Vif in human H9 cells expressing A3G assessed as inhibition of viral infection measured after 16 hrs by cell-based ...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi:  16nMAssay Description:Antagonist activity at OX1R (unknown origin) assessed as inhibition of orexin A-induced intracellular Ca2+ release by cell-based assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSodium-dependent serotonin transporter(Rat)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataIC50: 23nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi:  26nMAssay Description:Antagonist activity at OX1R (unknown origin) assessed as inhibition of orexin A-induced intracellular Ca2+ release by cell-based assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataIC50: 36nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetTransporter(Rat)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataIC50: 87nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataIC50: 88nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi:  640nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetHistamine H4 receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetHistamine H3 receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetHistamine H2 receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetD(3) dopamine receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetD(2) dopamine receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetD(1A) dopamine receptor(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSodium-dependent dopamine transporter(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Nanjing Tech University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50654931BDBM50654931(CHEMBL6167995)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed