BDBM50502517 CHEMBL4458025

SMILES: Fc1cc2nc(-c3cncnc3C#N)n(C3CC3)c2cc1F

InChI Key: InChIKey=MTCUYIDMCAXZRH-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 = 50502517   

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM50502517 (CHEMBL4458025) Show SMILES Fc1cc2nc(-c3cncnc3C#N)n(C3CC3)c2cc1F Show InChI InChI=1S/C15H9F2N5/c16-10-3-12-14(4-11(10)17)22(8-1-2-8)15(21-12)9-6-19-7-20-13(9)5-18/h3-4,6-8H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50502517 (CHEMBL4458025) Show SMILES Fc1cc2nc(-c3cncnc3C#N)n(C3CC3)c2cc1F Show InChI InChI=1S/C15H9F2N5/c16-10-3-12-14(4-11(10)17)22(8-1-2-8)15(21-12)9-6-19-7-20-13(9)5-18/h3-4,6-8H,1-2H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.99E+3	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