BDBM208945 US9266880, 3

SMILES: Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ncccc12

InChI Key: InChIKey=UKRRLQNQNKOILD-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 = 208945   

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))	BDBM208945 (US9266880, 3) Show SMILES Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ncccc12 Show InChI InChI=1S/C20H12FN5/c21-13-3-5-14(6-4-13)26-20-18(11-25-26)15(7-9-24-20)17-10-22-12-19-16(17)2-1-8-23-19/h1-12H	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	41	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