BDBM50461671 GS-333126::GS-9190::TEGOBUVIR::Tegobuvir

SMILES: Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1

InChI Key: InChIKey=XBEQSQDCBSKCHJ-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50461671   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50461671 (GS-333126 | GS-9190 | TEGOBUVIR | Tegobuvir) Show SMILES Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 26: 2621-2631 (2018) Article DOI: 10.1016/j.bmc.2018.04.029 BindingDB Entry DOI: 10.7270/Q27H1N7B
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50461671 (GS-333126 | GS-9190 | TEGOBUVIR | Tegobuvir) Show SMILES Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells				J Med Chem 57: 1964-75 (2014) Article DOI: 10.1021/jm401337x BindingDB Entry DOI: 10.7270/Q2DZ0C9K
					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50461671 (GS-333126 | GS-9190 | TEGOBUVIR | Tegobuvir) Show SMILES Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase				Bioorg Med Chem 26: 2621-2631 (2018) Article DOI: 10.1016/j.bmc.2018.04.029 BindingDB Entry DOI: 10.7270/Q27H1N7B
					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50461671 (GS-333126 | GS-9190 | TEGOBUVIR | Tegobuvir) Show SMILES Fc1ccccc1-c1nc2ccn(Cc3ccc(nn3)-c3ccc(cc3C(F)(F)F)C(F)(F)F)cc2n1 Show InChI InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase assessed as reduction in viral replication after 72 hrs by indirect imm...				Bioorg Med Chem 26: 2621-2631 (2018) Article DOI: 10.1016/j.bmc.2018.04.029 BindingDB Entry DOI: 10.7270/Q27H1N7B
					More data for this Ligand-Target Pair