BDBM158429 US9029399, 2A::US9339501, 2A

SMILES: FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1

InChI Key: InChIKey=BKDZEIPQCCUPML-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 158429   

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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158429 (US9029399, 2A | US9339501, 2A) Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9029399 (2015) BindingDB Entry DOI: 10.7270/Q28G8JFD
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM158429 (US9029399, 2A | US9339501, 2A) Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9339501 (2016) BindingDB Entry DOI: 10.7270/Q26T0KG2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM158429 (US9029399, 2A | US9339501, 2A) Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9339501 (2016) BindingDB Entry DOI: 10.7270/Q26T0KG2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM158429 (US9029399, 2A | US9339501, 2A) Show SMILES FC(F)(F)c1cc(ccn1)N1CCN(C1=O)c1cnccc1C1CC1 Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)15-9-12(3-6-22-15)23-7-8-24(16(23)25)14-10-21-5-4-13(14)11-1-2-11/h3-6,9-11H,1-2,7-8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistr...				US Patent US9029399 (2015) BindingDB Entry DOI: 10.7270/Q28G8JFD
					More data for this Ligand-Target Pair