Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50002535   

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)	BDBM50138406 (3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...) Show SMILES Nc1ccn([C@@H]2CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459813 (CHEMBL4205384) Show SMILES Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#C)c(=O)[nH]c1=O Show InChI InChI=1S/C13H19N2O13P3/c1-3-13(7-26-30(22,23)28-31(24,25)27-29(19,20)21)5-9(4-10(13)16)15-6-8(2)11(17)14-12(15)18/h1,6,9-10,16H,4-5,7H2,2H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459816 (CHEMBL518606) Show SMILES Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O1)C#C |r| Show InChI InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459815 (CHEMBL4216055) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C Show InChI InChI=1S/C13H18N5O12P3/c1-2-13(5-28-32(24,25)30-33(26,27)29-31(21,22)23)4-7(3-8(13)19)18-6-15-9-10(18)16-12(14)17-11(9)20/h1,6-8,19H,3-5H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459812 (CHEMBL4214561) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#N Show InChI InChI=1S/C12H17N6O12P3/c13-3-12(4-28-32(24,25)30-33(26,27)29-31(21,22)23)2-6(1-7(12)19)18-5-15-8-9(18)16-11(14)17-10(8)20/h5-7,19H,1-2,4H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	444	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459817 (CHEMBL4211088) Show SMILES Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#N)c(=O)[nH]c1=O Show InChI InChI=1S/C12H18N3O13P3/c1-7-4-15(11(18)14-10(7)17)8-2-9(16)12(3-8,5-13)6-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,8-9,16H,2-3,6H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459814 (CHEMBL4211602) Show SMILES Nc1nc(F)nc2n(cnc12)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C Show InChI InChI=1S/C13H17FN5O11P3/c1-2-13(5-28-32(24,25)30-33(26,27)29-31(21,22)23)4-7(3-8(13)20)19-6-16-9-10(15)17-12(14)18-11(9)19/h1,6-8,20H,3-5H2,(H,24,25)(H,26,27)(H2,15,17,18)(H2,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50459811 (CHEMBL4206712) Show SMILES Nc1nc(Cl)nc2n(cnc12)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C Show InChI InChI=1S/C13H17ClN5O11P3/c1-2-13(5-28-32(24,25)30-33(26,27)29-31(21,22)23)4-7(3-8(13)20)19-6-16-9-10(15)17-12(14)18-11(9)19/h1,6-8,20H,3-5H2,(H,24,25)(H,26,27)(H2,15,17,18)(H2,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Idenix an MSD Company Curated by ChEMBL					Assay Description Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...				J Med Chem 61: 9218-9228 (2018) Article DOI: 10.1021/acs.jmedchem.8b00141 BindingDB Entry DOI: 10.7270/Q2NC63TK
					More data for this Ligand-Target Pair