BindingDB PrimarySearch

BDBM50030791 CHEMBL3342402

SMILES: Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12

InChI Key: InChIKey=XYXNYQAJSYUYNZ-UHFFFAOYSA-N

Data: 10 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50030791
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins				ACS Med Chem Lett 5: 1119-23 (2014) Article DOI: 10.1021/ml500247w BindingDB Entry DOI: 10.7270/Q2GM88W5
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human IDO1				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
Colorado College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
Colorado College Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human IDO2				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
Colorado College Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human IDO1 by Bridge-IT Tryptophan fluorescence assay				J Med Chem 59: 282-93 (2016) BindingDB Entry DOI: 10.7270/Q28917QW
National Health Research Institutes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human TDO using Trp as substrate after 90 mins by Bridge-IT tryptophan fluorescence assay				Eur J Med Chem 143: 656-669 (2018) Article DOI: 10.1016/j.ejmech.2017.11.088 BindingDB Entry DOI: 10.7270/Q2GX4F22
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IDO1 using Trp as substrate after 90 mins by Bridge-IT tryptophan fluorescence assay				Eur J Med Chem 143: 656-669 (2018) Article DOI: 10.1016/j.ejmech.2017.11.088 BindingDB Entry DOI: 10.7270/Q2GX4F22
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIB Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged human recombinant IDO1 expressed in Escherichia coli BL21 using tryptophan as substrate after 90 mins by fluores...				J Med Chem 58: 9421-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00326 BindingDB Entry DOI: 10.7270/Q28K7D3X
SIB Swiss Institute of Bioinformatics Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human IDO1				Bioorg Med Chem Lett 30: (2020)
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human))	BDBM50030791 (CHEMBL3342402) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Transcriptional activation in CV-1 cells expressing human glucocorticoid receptor				Eur J Med Chem 143: 656-669 (2018) Article DOI: 10.1016/j.ejmech.2017.11.088 BindingDB Entry DOI: 10.7270/Q2GX4F22
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair