BDBM50050718 CHEMBL3317969

SMILES: C[C@H](Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(=O)N(C)C

InChI Key: InChIKey=RYLYZVYXGULJRD-QMMMGPOBSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50050718   

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
Polymerase basic protein 2 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50050718 (CHEMBL3317969) Show SMILES C[C@H](Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12)C(=O)N(C)C |r| Show InChI InChI=1S/C16H16ClFN6O/c1-8(16(25)24(2)3)22-15-12(18)7-21-14(23-15)11-6-20-13-10(11)4-9(17)5-19-13/h4-8H,1-3H3,(H,19,20)(H,21,22,23)/t8-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay				J Med Chem 57: 6668-78 (2014) Article DOI: 10.1021/jm5007275 BindingDB Entry DOI: 10.7270/Q2R21316
					More data for this Ligand-Target Pair				3D Structure (crystal)