BDBM50502502 CHEMBL4528905

SMILES: Fc1cc2nc(-c3cncnc3NCCC(F)(F)F)n(C3CC3)c2cc1F

InChI Key: InChIKey=NJHZFVKEMJAXLV-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 = 50502502   

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 P450 11B1 (Homo sapiens (Human))	BDBM50502502 (CHEMBL4528905) Show SMILES Fc1cc2nc(-c3cncnc3NCCC(F)(F)F)n(C3CC3)c2cc1F Show InChI InChI=1S/C17H14F5N5/c18-11-5-13-14(6-12(11)19)27(9-1-2-9)16(26-13)10-7-23-8-25-15(10)24-4-3-17(20,21)22/h5-9H,1-4H2,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Selenity Therapeutics Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using deoxycortisol as substrate incubated for 60 mins by cell-based HPLC analysis				ACS Med Chem Lett 10: 1056-1060 (2019) Article DOI: 10.1021/acsmedchemlett.9b00152
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (Homo sapiens (Human))	BDBM50502502 (CHEMBL4528905) Show SMILES Fc1cc2nc(-c3cncnc3NCCC(F)(F)F)n(C3CC3)c2cc1F Show InChI InChI=1S/C17H14F5N5/c18-11-5-13-14(6-12(11)19)27(9-1-2-9)16(26-13)10-7-23-8-25-15(10)24-4-3-17(20,21)22/h5-9H,1-4H2,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Selenity Therapeutics Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using deoxycorticosterone as substrate incubated for 90 mins by cell-based HPLC analysis				ACS Med Chem Lett 10: 1056-1060 (2019) Article DOI: 10.1021/acsmedchemlett.9b00152
					More data for this Ligand-Target Pair