BDBM272353 US10065950, Example 195

SMILES: COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C1CCC1

InChI Key: InChIKey=OQJUQDYAIUHQTR-INIZCTEOSA-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 = 272353   

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...)	BDBM272353 (US10065950, Example 195) Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C1CCC1 |r| Show InChI InChI=1S/C23H23FN4O4S/c1-32-12-16-10-27-11-17(20(29)21(30)19(27)23(31)28(16)15-3-2-4-15)22-26-25-18(33-22)9-13-5-7-14(24)8-6-13/h5-8,11,15-16,30H,2-4,9-10,12H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	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