Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.5 BDBM474362

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 ()	BDBM474362 ((S)-6-benzhydryl-11-hydroxy-3-phenyl-5,6- dihydro-...) Show SMILES Oc1c2-c3ncc(-c4ccccc4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C29H23N3O2/c33-25-16-17-31-24(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)19-32-23(20-10-4-1-5-11-20)18-30-29(32)27(31)28(25)34/h1-18,24,26,34H,19H2/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	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 ()	BDBM474362 ((S)-6-benzhydryl-11-hydroxy-3-phenyl-5,6- dihydro-...) Show SMILES Oc1c2-c3ncc(-c4ccccc4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C29H23N3O2/c33-25-16-17-31-24(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)19-32-23(20-10-4-1-5-11-20)18-30-29(32)27(31)28(25)34/h1-18,24,26,34H,19H2/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	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