BDBM50543291 CHEMBL4644751

SMILES: C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=QXQPETGZKGQABI-BQXHSLBWSA-N

Data: 4 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 = 50543291   

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))	BDBM50543291 (CHEMBL4644751) Show SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan as substrate incubated for 48 hrs by fluorescence assay				ACS Med Chem Lett 11: 1548-1554 (2020)
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50543291 (CHEMBL4644751) Show SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	36	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 whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins prior to IFNgam...				ACS Med Chem Lett 11: 1548-1554 (2020)
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50543291 (CHEMBL4644751) Show SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Activation of PXR (unknown origin)				ACS Med Chem Lett 11: 1548-1554 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50543291 (CHEMBL4644751) Show SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibition of CYP450 (unknown origin)				ACS Med Chem Lett 11: 1548-1554 (2020)
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50543291 (CHEMBL4644751) Show SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H19F3N2O2/c1-12(18(27)25-15-5-3-14(22)4-6-15)20-9-21(10-20,11-20)26-19(28)13-2-7-16(23)17(24)8-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells using L-tryptophan as substrate incubated for 48 hrs by fluorescent microplate reader assay				ACS Med Chem Lett 11: 1548-1554 (2020)
					More data for this Ligand-Target Pair