Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50037513   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50169065 (2-Methyl-5-nitro-1-[2-(phenyl-thiophen-2-yl-methox...) Show SMILES Cc1ncc(n1CCOC(c1cccs1)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C17H17N3O3S/c1-13-18-12-16(20(21)22)19(13)9-10-23-17(15-8-5-11-24-15)14-6-3-2-4-7-14/h2-8,11-12,17H,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) enzyme				J Med Chem 48: 4378-88 (2005) Article DOI: 10.1021/jm050273a BindingDB Entry DOI: 10.7270/Q2TT4RRT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50169063 (Benzhydryl-[2-(2-methyl-5-nitro-imidazol-1-yl)-eth...) Show SMILES Cc1ncc(n1CCNC(c1ccccc1)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C19H20N4O2/c1-15-21-14-18(23(24)25)22(15)13-12-20-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20H,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%				J Med Chem 48: 4378-88 (2005) Article DOI: 10.1021/jm050273a BindingDB Entry DOI: 10.7270/Q2TT4RRT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%				J Med Chem 48: 4378-88 (2005) Article DOI: 10.1021/jm050273a BindingDB Entry DOI: 10.7270/Q2TT4RRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50169066 (1-(2-Benzhydrylsulfanyl-ethyl)-2-methyl-5-nitro-1H...) Show SMILES Cc1ncc(n1CCSC(c1ccccc1)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C19H19N3O2S/c1-15-20-14-18(22(23)24)21(15)12-13-25-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required to inhibit HIV-1 reverse transcriptase activity of wild-type enzyme				J Med Chem 48: 4378-88 (2005) Article DOI: 10.1021/jm050273a BindingDB Entry DOI: 10.7270/Q2TT4RRT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Universit£ di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%				J Med Chem 48: 4378-88 (2005) Article DOI: 10.1021/jm050273a BindingDB Entry DOI: 10.7270/Q2TT4RRT
					More data for this Ligand-Target Pair				3D Structure (crystal)