BDBM50127205 CHEMBL3628603

SMILES: COC1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1

InChI Key: InChIKey=UCQQRXUYMKESQN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50127205   

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))	BDBM50127205 (CHEMBL3628603) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C24H22N4O4/c1-32-17-10-12-27(13-11-17)24(31)16-8-6-15(7-9-16)14-28-21-20(25-26-28)22(29)18-4-2-3-5-19(18)23(21)30/h2-9,17H,10-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50127205 (CHEMBL3628603) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 Show InChI InChI=1S/C24H22N4O4/c1-32-17-10-12-27(13-11-17)24(31)16-8-6-15(7-9-16)14-28-21-20(25-26-28)22(29)18-4-2-3-5-19(18)23(21)30/h2-9,17H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay				J Med Chem 58: 7807-19 (2015) BindingDB Entry DOI: 10.7270/Q2JS9S7K
					More data for this Ligand-Target Pair