BDBM50050702 CHEMBL3317999

SMILES: NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12

InChI Key: InChIKey=YGVGRXADYPSGFG-HZMBPMFUSA-N

Data: 1 Kd

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 = 50050702   

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...)	BDBM50050702 (CHEMBL3317999) Show SMILES NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)cc12 |r| Show InChI InChI=1S/C18H18ClFN6O/c19-9-5-11-12(7-23-16(11)22-6-9)17-24-8-13(20)18(26-17)25-14-4-2-1-3-10(14)15(21)27/h5-8,10,14H,1-4H2,(H2,21,27)(H,22,23)(H,24,25,26)/t10-,14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	30	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