Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.3 BDBM474352

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Polymerase acidic protein ()	BDBM474352 ((S)-6-((R)-(4-fluorophenyl)(6- (trifluoromethyl)py...) Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3ccc(nc3)C(F)(F)F)n2ncc1=O |r| Show InChI InChI=1S/C22H15F4N5O2/c23-14-4-1-12(2-5-14)18(13-3-6-17(28-9-13)22(24,25)26)15-11-30-8-7-27-21(30)19-20(33)16(32)10-29-31(15)19/h1-10,15,18,33H,11H2/t15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z60S8G
					More data for this Ligand-Target Pair
Polymerase acidic protein ()	BDBM474352 ((S)-6-((R)-(4-fluorophenyl)(6- (trifluoromethyl)py...) Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3ccc(nc3)C(F)(F)F)n2ncc1=O |r| Show InChI InChI=1S/C22H15F4N5O2/c23-14-4-1-12(2-5-14)18(13-3-6-17(28-9-13)22(24,25)26)15-11-30-8-7-27-21(30)19-20(33)16(32)10-29-31(15)19/h1-10,15,18,33H,11H2/t15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...				US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair