BDBM132221 USRE45173, 160A::USRE45173, 197A

SMILES: Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C(F)(F)F

InChI Key: InChIKey=GGNNSFBMCVXUPG-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 = 132221   

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 17A1 (Homo sapiens (Human))	BDBM132221 (USRE45173, 160A | USRE45173, 197A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O/c1-10-4-5-21-9-14(10)25-7-6-24(16(25)26)11-2-3-12-13(8-11)22-23-15(12)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM132221 (USRE45173, 160A | USRE45173, 197A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2c(n[nH]c2c1)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O/c1-10-4-5-21-9-14(10)25-7-6-24(16(25)26)11-2-3-12-13(8-11)22-23-15(12)17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair