Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50087774'   

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
Genome polyprotein (Human rhinovirus B)	BDBM50087774 (3-[3-Carbamoyl-5-(4-pyrimidin-2-yl-piperazin-1-ylm...) Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ncccn2)cc(c1)C(N)=O Show InChI InChI=1S/C21H25N5O3/c1-2-29-19(27)5-4-16-12-17(14-18(13-16)20(22)28)15-25-8-10-26(11-9-25)21-23-6-3-7-24-21/h3-7,12-14H,2,8-11,15H2,1H3,(H2,22,28)/b5-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14				J Med Chem 43: 1670-83 (2000) BindingDB Entry DOI: 10.7270/Q2GX49ST
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