BDBM370555 (1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]isoindol-5-yl)-1-hydroxyethyl)cyclohexanol::US10233190, Example 1488

SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1

InChI Key InChIKey=YGACXVRLDHEXKY-WXRXAMBDSA-N

Data  3 KI  27 IC50  6 EC50

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 36 hits for monomerid = 370555   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataKi:  5.80nMAssay Description:Inhibition of purified human IDO1 using varying levels of L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataKi:  19nMAssay Description:Binding affinity to human IDO1 assessed as inhibition constantMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataKi:  28nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  140nMAssay Description:Inhibition of TDO (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  13nMAssay Description:Inhibition of human IDO1 assessed as reduction in kynurenine productionMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  28nMAssay Description:Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins b...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataEC50:  75nMAssay Description:Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrsMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  5.70E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  8.60E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataEC50:  7.10E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataEC50:  2.00E+3nMAssay Description:Inhibition of TDO (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  450nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  247nMAssay Description:Inhibition of human TDO expressed in Escherichia coli Rosetta measured after 1 hr microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  79nMAssay Description:Inhibition of human IDO1 expressed in Escherichia coli Rosetta measured after 1 hr by microplate reader analysisMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  434nMAssay Description:Inhibition of IDO in human HeLa cells using tryptophan as substrate measured after 48 hrs in presence of INF gamma microplate reader analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  75nMAssay Description:Inhibition of recombinant human IDO1 assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 45 mins by microplat...More data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  800nMAssay Description:Inhibition of recombinant human TDO assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 45 mins by microplate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  14nMAssay Description:Inhibition of recombinant human His-tagged IDO1 (Ala2 to Gly403 residues) expressed in Escherichia coli using tryptophan as substrate preincubated fo...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  14nMAssay Description:Inhibition of recombinant human His-tagged IDO1 (Ala2 to Gly403 residues) expressed in Escherichia coli using tryptophan as substrate preincubated fo...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  28nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  28nMAssay Description:Inhibition of human IDO1More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  81nMAssay Description:Inhibition of human IDO1 (12 to 403 aa) expressed in Escherichia coli Transetta (DE3) by nanodrop 2000c spectrophotometric analysisMore data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  150nMAssay Description:Inhibition of human TDO (19 to 388 aa) expressed in Escherichia coli Transetta (DE3) by nanodrop 2000c spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataEC50:  100nMAssay Description:Inhibition of IDO1 in IFN-gamma induced overexpressing human HeLa cellsMore data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataEC50:  1.51E+3nMAssay Description:Inhibition of TDO in overexpressing human SW48 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of human TDO expressed in T-REx-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataEC50:  3.00E+3nMAssay Description:Inhibition of TDO in overexpressing human A-172 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50: <1.00E+3nMAssay Description:The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM370555((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Affinity DataIC50:  75nMAssay Description:Transcriptional activation in CV-1 cells expressing human glucocorticoid receptorMore data for this Ligand-Target Pair