BDBM50285416 CHEMBL4161733

SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1

InChI Key InChIKey=KRTIYQIPSAGSBP-ZACQAIPSSA-N

Data  30 IC50  1 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50285416   

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.70nMAssay Description:Transcriptional activation in CV-1 cells expressing human glucocorticoid receptorMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+3nMAssay Description:Inhibition of human TDOMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMed
Copy BDB DOI

TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of TDO (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  0.5nMAssay Description:Inhibition of IDO1 (unknown origin) by cell-based assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.10nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  2.80nMAssay Description:Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan as substrate incubated for 48 hrs by fluorescence assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.10nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  0.5nMAssay Description:Inhibition of IDO1 in human HeLa cells preincubated for 1 hr followed by IFN-gamma stimulation and measured after 20 hrs by Ehrlich colorimetric reag...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  47nMAssay Description:Inhibition of IDO1 in human whole bloodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  4.20nMAssay Description:Inhibition of IDO1 in human SKOV3 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetCytochrome P450 2C9(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  730nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCytochrome P450 2C8(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCytochrome P450 2D6(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCytochrome P450 3A4(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  5.10E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  47nMAssay Description:Inhibition of IDO1 in human whole bloodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  4.20nMAssay Description:Inhibition of IDO1 in human SKOV3 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of TDO in HEK cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  9nMAssay Description:Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
Bristol Myers Squibb Research And Development

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs byMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay Description:Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs byMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay Description:Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
Bristol Myers Squibb Research And Development

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assayMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of IDO1 in HEK293 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50: <5.00E+4nMAssay Description:Inhibition of IDO1 in HEK293 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.70nMAssay Description:Inhibition of human IDO1More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  0.5nMAssay Description:Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells in presence of heme measured after 20 hrs by heme-competitive binding assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.10nMAssay Description:Inhibition of IDO1 in HEK293 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  500nMAssay Description:Inhibition of human IDO1 expressed in Escherichia coli BL21(DE3) using D-tryptophan as substrate assessed as formation of kynurenine productionMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataKd:  470nMAssay Description:Binding affinity to IDO1 (unknown origin) assessed as dissociation constant by bio-layer interferometry assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  1.70nMAssay Description:Inhibition of human IDO1More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50285416(CHEMBL4161733)Copy SMILESCopy InChI

Affinity DataIC50:  3.40nMAssay Description:Inhibition of IDO1 in human SKOV3 assessed as reduction in kynurenine productionMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI