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SMILES: CC(C)(C)n1cc(C#N)c2cc(C=O)cnc12

InChI Key: InChIKey=OTBGTILLAONBGQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50532845   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532845 (CHEMBL4532532) Show SMILES CC(C)(C)n1cc(C#N)c2cc(C=O)cnc12 Show InChI InChI=1S/C13H13N3O/c1-13(2,3)16-7-10(5-14)11-4-9(8-17)6-15-12(11)16/h4,6-8H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532845 (CHEMBL4532532) Show SMILES CC(C)(C)n1cc(C#N)c2cc(C=O)cnc12 Show InChI InChI=1S/C13H13N3O/c1-13(2,3)16-7-10(5-14)11-4-9(8-17)6-15-12(11)16/h4,6-8H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair