null

SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=WQTKNBPCJKRYPA-OAQYLSRUSA-N

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50211114   

TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataKi:  39.8nMAssay Description:Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataKi:  158nMAssay Description:Displacement of [125I]-CXCL11 from human CXCR3 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.90E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.60E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 5.20E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 36nMAssay Description:Antagonist activity at CXCR3 assessed as MIG-mediated cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Antagonist activity at CXCR3 assessed as IP-10-mediated cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Displacement of [125I]-IP-10 from CXCR3 receptorMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Antagonist activity at CXCR3 assessed as ITAC-mediated cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8.20nMAssay Description:Displacement of [125I]-ITAC from CXCR3 receptorMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 330nMAssay Description:Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMCMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 240nMAssay Description:Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasmaMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation countingMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 49nMAssay Description:Displacement of [125I]-IP-10 from CXCR3 in presence of 100% human serumMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Displacement of [125I]-IP-10 from CXCR3More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Mus musculus)
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Receptor occupancy of CXCR3 in mouse whole blood assessed as inhibition of ITAC binding by fluorescence quenching based FACS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75GS5PubMed
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of ITAC-induced CXCR3 mediated cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 36nMAssay Description:Inhibition of MIG-induced CXCR3 mediated cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8.20nMAssay Description:Displacement of [125I] ITAC from the CXCR3 receptorMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibition of IP10-induced CXCR3 mediated cell migrationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMCMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Antagonist activity at human CXCR3 assessed as inhibition of ITAC-induced calcium mobilizationMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
VU University Amsterdam

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Binding affinity to CXCR3More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 9.20E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 8.30E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen, Inc.

Curated by ChEMBL
LigandPNGBDBM50211114((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23N254QPubMed