BDBM50097575 6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL346356

SMILES: Oc1cc2NC(=O)OC(C#CC3CC3)(c2cc1Cl)C(F)(F)F

InChI Key: InChIKey=GZMDZAYFVCXHFM-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

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 = 50097575   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50097575 (6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluor...) Show SMILES Oc1cc2NC(=O)OC(C#CC3CC3)(c2cc1Cl)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 11: 619-22 (2001) BindingDB Entry DOI: 10.7270/Q2BC403C
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H) (Homo sapiens (Human))	BDBM50097575 (6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluor...) Show SMILES Oc1cc2NC(=O)OC(C#CC3CC3)(c2cc1Cl)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020)
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (CH24H) (Homo sapiens (Human))	BDBM50097575 (6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluor...) Show SMILES Oc1cc2NC(=O)OC(C#CC3CC3)(c2cc1Cl)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020)
					More data for this Ligand-Target Pair