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SMILES: CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl

InChI Key: InChIKey=CBDHDNQKYMVBTK-WCQYABFASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50070530   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50070530 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070530 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070530 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair