Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 470.9 BDBM50497093

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50497093 (CHEMBL3263461) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1F Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-9-15(2)11-18(10-14)32(30,31)23-19-12-17(25)7-8-21(19)28-22(23)24(29)27-13-16-5-3-4-6-20(16)26/h3-12,28H,13H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50497093 (CHEMBL3263461) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1F Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-9-15(2)11-18(10-14)32(30,31)23-19-12-17(25)7-8-21(19)28-22(23)24(29)27-13-16-5-3-4-6-20(16)26/h3-12,28H,13H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50497093 (CHEMBL3263461) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1F Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-9-15(2)11-18(10-14)32(30,31)23-19-12-17(25)7-8-21(19)28-22(23)24(29)27-13-16-5-3-4-6-20(16)26/h3-12,28H,13H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair