BDBM208947 US9266880, 4

SMILES: Cn1cncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

InChI Key: InChIKey=JFEMPGINTWTZJM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 208947   

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))	BDBM208947 (US9266880, 4) Show SMILES Cn1cncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1 Show InChI InChI=1S/C16H12FN5/c1-21-10-18-9-15(21)13-6-7-19-16-14(13)8-20-22(16)12-4-2-11(17)3-5-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.2	4
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...				US Patent US9266880 (2016) BindingDB Entry DOI: 10.7270/Q24T6H69
					More data for this Ligand-Target Pair