Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50029492   

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)	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of the compound towards HIV-reverse transcriptase				Bioorg Med Chem Lett 5: 1819-1824 (1995) Article DOI: 10.1016/0960-894X(95)00302-A BindingDB Entry DOI: 10.7270/Q23T9H64
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50213275 (CHEMBL2021382) Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H26N7O8P/c1-12-10-29(22(32)25-20(12)30)19-8-16(26-28-23)18(37-19)11-36-38(33,34)27-17(21(31)35-2)7-13-9-24-15-6-4-3-5-14(13)15/h3-6,9-10,16-19,24H,7-8,11H2,1-2H3,(H,25,30,32)(H2,27,33,34)/t16-,17-,18+,19+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of the compound towards HIV-reverse transcriptase				Bioorg Med Chem Lett 5: 1819-1824 (1995) Article DOI: 10.1016/0960-894X(95)00302-A BindingDB Entry DOI: 10.7270/Q23T9H64
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50060160 ((S)-2-[[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-...) Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(OCCC#N)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C25H29N8O8P/c1-15-13-33(25(36)29-23(15)34)22-11-19(30-32-27)21(41-22)14-40-42(37,39-9-5-8-26)31-20(24(35)38-2)10-16-12-28-18-7-4-3-6-17(16)18/h3-4,6-7,12-13,19-22,28H,5,9-11,14H2,1-2H3,(H,31,37)(H,29,34,36)/t19?,20-,21?,22?,42?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of the compound towards HIV-reverse transcriptase				Bioorg Med Chem Lett 5: 1819-1824 (1995) Article DOI: 10.1016/0960-894X(95)00302-A BindingDB Entry DOI: 10.7270/Q23T9H64
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50060161 ((S)-2-{[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NP(O)(=O)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-14(23-25-21)16(34-17)11-33-35(30,31)24-15(19(28)32-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,22,27,29)(H2,24,30,31)/t14?,15-,16?,17?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of the compound towards HIV-reverse transcriptase				Bioorg Med Chem Lett 5: 1819-1824 (1995) Article DOI: 10.1016/0960-894X(95)00302-A BindingDB Entry DOI: 10.7270/Q23T9H64
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50060162 ((S)-2-[[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NP(=O)(OCCC#N)OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O Show InChI InChI=1S/C23H28N7O8P/c1-15-13-30(23(33)26-21(15)31)20-12-17(27-29-25)19(38-20)14-37-39(34,36-10-6-9-24)28-18(22(32)35-2)11-16-7-4-3-5-8-16/h3-5,7-8,13,17-20H,6,10-12,14H2,1-2H3,(H,28,34)(H,26,31,33)/t17?,18-,19?,20?,39?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of the compound towards HIV-reverse transcriptase				Bioorg Med Chem Lett 5: 1819-1824 (1995) Article DOI: 10.1016/0960-894X(95)00302-A BindingDB Entry DOI: 10.7270/Q23T9H64
					More data for this Ligand-Target Pair