BDBM50126144 CHEMBL3629569::US10155972, Compound NewLink 1::US10233190, Example 1304

SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1

InChI Key InChIKey=YTRRAUACYORZLX-UHFFFAOYSA-N

Data  1 KI  21 IC50  1 Kd  3 EC50

PDB links: 2 PDB IDs match this monomer.

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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 = 50126144   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataKi:  7.20nMAssay Description:Inhibition of IDO1 (unknown origin) by in-vitro assayMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  50nMAssay Description:Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 45 mins by m...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  38nMAssay Description:Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysisMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataEC50:  61nMAssay Description:Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrsMore data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Iomet Pharma

US Patent
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  501nMAssay Description:In two separate assays, 2.5 μg/μl of human TDO protein was pre-incubated for 10 minutes at RT with test compounds 680C91 and LM10 in the pr...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Iomet Pharma

US Patent
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  398nMAssay Description:In two separate assays, 0.045 μg/μl of human IDO protein was pre-incubated for 10 min at RT with test compounds NewLink 1 and Incyte 1 in t...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  60nMAssay Description:Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  590nMAssay Description:Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrsMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
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))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataKd:  3.30E+3nMAssay Description:Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis methodMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataEC50:  75nMAssay Description:Inhibition of IDO1 (unknown origin) by cell based assayMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  410nMAssay Description:Inhibition of IFNgamma-induced IDO1 in human HeLa cells using L-tryptophan as substrate after 24 hrsMore data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50: <1.00E+3nMAssay Description:Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after ...More data for this Ligand-Target Pair
TargetCytochrome P450 2B6(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  60nMAssay 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
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataEC50:  83nMAssay 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 2D6(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  170nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  190nMAssay Description:Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated ...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  80nMAssay Description:Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...More data for this Ligand-Target Pair
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  110nMAssay Description:Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...More data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Iomet Pharma

US Patent
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  150nMAssay Description:Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Iomet Pharma

US Patent
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  30nMAssay Description:Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptopha...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50: <1.00E+3nMAssay Description:Inhibition of human IDO1More data for this Ligand-Target Pair
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Iomet Pharma

US Patent
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50: <1.00E+3nMAssay Description:Inhibition of TDO (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed