BDBM192014 Inz-5

SMILES: Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(ccc1F)C(F)(F)F

InChI Key: InChIKey=MMEFXWUINPSTPN-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 192014   

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))	BDBM192014 (Inz-5) Show SMILES Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	289	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				3D Structure (crystal)
Cytochrome b (Homo sapiens (Human))	BDBM192014 (Inz-5) Show SMILES Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.51E+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