BDBM272165 US10065950, Example 6

SMILES: CC(C)N1[C@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O

InChI Key: InChIKey=ZEWPSDRFXVXHMK-GFCCVEGCSA-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 = 272165   

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
inhibitory activity (Human immunodeficiency virus type 1 group M subtyp...)	BDBM272165 (US10065950, Example 6) Show SMILES CC(C)N1[C@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C21H21FN4O3S/c1-11(2)26-12(3)9-25-10-15(18(27)19(28)17(25)21(26)29)20-24-23-16(30-20)8-13-4-6-14(22)7-5-13/h4-7,10-12,28H,8-9H2,1-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	25
Japan Tobacco Inc. US Patent					Assay Description The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...				US Patent US10065950 (2018) BindingDB Entry DOI: 10.7270/Q2RN39V2
					More data for this Ligand-Target Pair