BDBM50529369 CHEMBL4447875::US10988487, Example 2

SMILES: Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O

InChI Key: InChIKey=ZYPFVFRPQQRTIM-MRVPVSSYSA-N

Data: 3 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 3 hits for monomerid = 50529369   

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))	BDBM50529369 (CHEMBL4447875 | US10988487, Example 2) Show SMILES Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r| Show InChI InChI=1S/C11H10FN5O2/c12-6-2-1-5-3-8(7(5)4-6)14-11(15-18)9-10(13)17-19-16-9/h1-2,4,8,18H,3H2,(H2,13,17)(H,14,15)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged IDO1 (unknown origin) expressed in Escherichia coli preincubated for 30 mins followed by substrate tryptophan ad...				ACS Med Chem Lett 10: 1530-1536 (2019) Article DOI: 10.1021/acsmedchemlett.9b00344
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50529369 (CHEMBL4447875 | US10988487, Example 2) Show SMILES Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r| Show InChI InChI=1S/C11H10FN5O2/c12-6-2-1-5-3-8(7(5)4-6)14-11(15-18)9-10(13)17-19-16-9/h1-2,4,8,18H,3H2,(H2,13,17)(H,14,15)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...				US Patent US10988487 (2021)
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50529369 (CHEMBL4447875 | US10988487, Example 2) Show SMILES Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r| Show InChI InChI=1S/C11H10FN5O2/c12-6-2-1-5-3-8(7(5)4-6)14-11(15-18)9-10(13)17-19-16-9/h1-2,4,8,18H,3H2,(H2,13,17)(H,14,15)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of IDO1 in human HeLa cells stimulated with IFNgamma using L-tryptophan as substrate incubated for 48 hrs by fluorescence based assay				ACS Med Chem Lett 10: 1530-1536 (2019) Article DOI: 10.1021/acsmedchemlett.9b00344
					More data for this Ligand-Target Pair