BDBM50203249 CHEMBL3945146

SMILES: Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1

InChI Key: InChIKey=VJIRTJXCKSBRDG-UHFFFAOYSA-N

Data: 1 KI  3 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 5 hits for monomerid = 50203249   

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))	BDBM50203249 (CHEMBL3945146) Show SMILES Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50203249 (CHEMBL3945146) Show SMILES Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50203249 (CHEMBL3945146) Show SMILES Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50203249 (CHEMBL3945146) Show SMILES Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminal 6xHis-tagged human TDO expressed in Escherichia cli Rosetta (DE3) pLysS using L-tryptophan as substrate preincubated for 1 h...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50203249 (CHEMBL3945146) Show SMILES Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1 Show InChI InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair