BDBM50516644 CHEMBL4563021

SMILES: OC(CC1c2cc(F)ccc2-c2cncn12)C1CCCCC1

InChI Key: InChIKey=PKEXUVAGVPPMGW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50516644   

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))	BDBM50516644 (CHEMBL4563021) Show SMILES OC(CC1c2cc(F)ccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H21FN2O/c19-13-6-7-14-15(8-13)16(21-11-20-10-17(14)21)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2	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	n/a	n/a	340	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrs				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50516644 (CHEMBL4563021) Show SMILES OC(CC1c2cc(F)ccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H21FN2O/c19-13-6-7-14-15(8-13)16(21-11-20-10-17(14)21)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2	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	420	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay 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...				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair