Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50532856' 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
(Human immunodeficiency virus 1) | BDBM50532856
(CHEMBL4577153)Show SMILES Cc1cccc(C)c1-c1c2C(=O)CC(C)(C)Cc2nc2n(Cc3ccccc3)cc(C#N)c12 |(70.54,-26.87,;70.19,-28.41,;70.66,-29.87,;69.63,-31.02,;68.12,-30.7,;67.65,-29.2,;66.15,-28.85,;68.68,-28.09,;67.91,-25.75,;66.41,-25.44,;65.39,-26.58,;65.61,-28.11,;63.88,-26.25,;63.39,-24.76,;62.06,-25.54,;62.46,-23.57,;64.44,-23.65,;65.93,-23.97,;66.96,-22.83,;68.47,-23.15,;69.7,-22.24,;69.7,-20.7,;68.37,-19.92,;68.37,-18.38,;67.03,-17.62,;65.7,-18.39,;65.71,-19.94,;67.04,-20.7,;70.96,-23.14,;70.48,-24.61,;71.38,-25.86,;72.28,-27.11,;68.94,-24.61,)| Show InChI InChI=1S/C29H27N3O/c1-18-9-8-10-19(2)24(18)27-25-21(15-30)17-32(16-20-11-6-5-7-12-20)28(25)31-22-13-29(3,4)14-23(33)26(22)27/h5-12,17H,13-14,16H2,1-4H3 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60E+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) | BDBM50532856
(CHEMBL4577153)Show SMILES Cc1cccc(C)c1-c1c2C(=O)CC(C)(C)Cc2nc2n(Cc3ccccc3)cc(C#N)c12 |(70.54,-26.87,;70.19,-28.41,;70.66,-29.87,;69.63,-31.02,;68.12,-30.7,;67.65,-29.2,;66.15,-28.85,;68.68,-28.09,;67.91,-25.75,;66.41,-25.44,;65.39,-26.58,;65.61,-28.11,;63.88,-26.25,;63.39,-24.76,;62.06,-25.54,;62.46,-23.57,;64.44,-23.65,;65.93,-23.97,;66.96,-22.83,;68.47,-23.15,;69.7,-22.24,;69.7,-20.7,;68.37,-19.92,;68.37,-18.38,;67.03,-17.62,;65.7,-18.39,;65.71,-19.94,;67.04,-20.7,;70.96,-23.14,;70.48,-24.61,;71.38,-25.86,;72.28,-27.11,;68.94,-24.61,)| Show InChI InChI=1S/C29H27N3O/c1-18-9-8-10-19(2)24(18)27-25-21(15-30)17-32(16-20-11-6-5-7-12-20)28(25)31-22-13-29(3,4)14-23(33)26(22)27/h5-12,17H,13-14,16H2,1-4H3 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60E+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 | |