BDBM317215 US9617272, Compound 70::US9981973, Compound 70

SMILES: OC(CC1c2cncn2-c2ccccc12)C1CCCCC1

InChI Key: InChIKey=MENMLCRHDMAGQE-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 317215   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM317215 (US9617272, Compound 70 | US9981973, Compound 70) Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation US Patent					Assay 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; ...				US Patent US9617272 (2017) BindingDB Entry DOI: 10.7270/Q2HD7XQN
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM317215 (US9617272, Compound 70 | US9981973, Compound 70) Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation US Patent					Assay Description The IC50 values for each compound were determined by testing the activity of TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...				US Patent US9617272 (2017) BindingDB Entry DOI: 10.7270/Q2HD7XQN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM317215 (US9617272, Compound 70 | US9981973, Compound 70) Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+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 C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after ...				J Med Chem 58: 9421-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00326 BindingDB Entry DOI: 10.7270/Q28K7D3X
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM317215 (US9617272, Compound 70 | US9981973, Compound 70) Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay 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; ...				J Med Chem 52: 3576-85 (2009) BindingDB Entry DOI: 10.7270/Q2K35X00
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM317215 (US9617272, Compound 70 | US9981973, Compound 70) Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1 Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The IC50 values for each compound were determined by testing the activity of TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...				J Med Chem 52: 3576-85 (2009) BindingDB Entry DOI: 10.7270/Q2K35X00
					More data for this Ligand-Target Pair