BDBM192090 Inz-81

SMILES: COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12

InChI Key: InChIKey=AJXZFTNIAXQAGD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 192090   

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))	BDBM192090 (Inz-81) Show SMILES COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12 Show InChI InChI=1S/C25H29FN2O3/c1-30-24(29)17-28-23-12-6-5-11-20(23)25(27-28)21-16-19(13-14-22(21)26)31-15-7-10-18-8-3-2-4-9-18/h5-6,11-14,16,18H,2-4,7-10,15,17H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	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))	BDBM192090 (Inz-81) Show SMILES COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12 Show InChI InChI=1S/C25H29FN2O3/c1-30-24(29)17-28-23-12-6-5-11-20(23)25(27-28)21-16-19(13-14-22(21)26)31-15-7-10-18-8-3-2-4-9-18/h5-6,11-14,16,18H,2-4,7-10,15,17H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+3	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