null

SMILES: COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2c(cccc12)C(F)(F)F

InChI Key: InChIKey=XPMQLPQMRDTTDT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 192031   

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
Cytochrome b (Candida albicans (Yeast))	BDBM192031 (Inz-22) Show SMILES COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2c(cccc12)C(F)(F)F Show InChI InChI=1S/C18H11F7N2O2/c1-29-14(28)8-27-13-4-2-3-11(18(23,24)25)15(13)16(26-27)10-7-9(17(20,21)22)5-6-12(10)19/h2-7H,8H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	7.4	25
Massachusetts Institute of Technology					Assay Description The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...				Cell Chem Biol 23: 978-991 (2016) Article DOI: 10.1016/j.chembiol.2016.06.016 BindingDB Entry DOI: 10.7270/Q2SX6C1B
					More data for this Ligand-Target Pair
Cytochrome b (Homo sapiens (Human))	BDBM192031 (Inz-22) Show SMILES COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2c(cccc12)C(F)(F)F Show InChI InChI=1S/C18H11F7N2O2/c1-29-14(28)8-27-13-4-2-3-11(18(23,24)25)15(13)16(26-27)10-7-9(17(20,21)22)5-6-12(10)19/h2-7H,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.40E+4	n/a	n/a	n/a	n/a	7.4	25
Massachusetts Institute of Technology					Assay Description The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...				Cell Chem Biol 23: 978-991 (2016) Article DOI: 10.1016/j.chembiol.2016.06.016 BindingDB Entry DOI: 10.7270/Q2SX6C1B
					More data for this Ligand-Target Pair