Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50041218   

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)	BDBM50407259 (CHEMBL342041) Show SMILES CO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)Br Show InChI InChI=1S/C11H16BrN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407260 (CHEMBL135203) Show SMILES CC1(Cl)C(N=[N+]=[N-])N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O Show InChI InChI=1S/C10H13ClN8O4/c1-10(11)7(16-18-13)19(9(22)14-8(10)21)6-2-4(15-17-12)5(3-20)23-6/h4-7,20H,2-3H2,1H3,(H,14,21,22)/t4-,5+,6+,7?,10?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407261 (CHEMBL137575) Show SMILES CO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)I Show InChI InChI=1S/C11H16IN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.15	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407262 (CHEMBL135672) Show SMILES CC1(Br)C(N=[N+]=[N-])N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O Show InChI InChI=1S/C10H13BrN8O4/c1-10(11)7(16-18-13)19(9(22)14-8(10)21)6-2-4(15-17-12)5(3-20)23-6/h4-7,20H,2-3H2,1H3,(H,14,21,22)/t4-,5+,6+,7?,10?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407269 (CHEMBL138540) Show SMILES CC(C)O[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br Show InChI InChI=1S/C13H20BrN5O5/c1-6(2)23-11-13(3,14)10(21)16-12(22)19(11)9-4-7(17-18-15)8(5-20)24-9/h6-9,11,20H,4-5H2,1-3H3,(H,16,21,22)/t7?,8?,9?,11-,13+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407264 (CHEMBL334917) Show SMILES CO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)C1(C)Cl Show InChI InChI=1S/C11H16ClN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5-,6+,7+,9+,11?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.79E+3	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407265 (CHEMBL334551) Show SMILES CO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br Show InChI InChI=1S/C11H16BrN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.27	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407266 (CHEMBL137294) Show SMILES CCO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br Show InChI InChI=1S/C12H18BrN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)/t6?,7?,8?,10-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.75	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407267 (CHEMBL132707) Show SMILES CCO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)Br Show InChI InChI=1S/C12H18BrN5O5/c1-3-22-10-12(2,13)9(20)15-11(21)18(10)8-4-6(16-17-14)7(5-19)23-8/h6-8,10,19H,3-5H2,1-2H3,(H,15,20,21)/t6?,7?,8?,10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	23.7	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407268 (CHEMBL136976) Show SMILES CO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)I Show InChI InChI=1S/C11H16IN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.17	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50407263 (CHEMBL137765) Show SMILES CCCCCCCCO[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br Show InChI InChI=1S/C18H30BrN5O5/c1-3-4-5-6-7-8-9-28-16-18(2,19)15(26)21-17(27)24(16)14-10-12(22-23-20)13(11-25)29-14/h12-14,16,25H,3-11H2,1-2H3,(H,21,26,27)/t12?,13?,14?,16-,18+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	865	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Effective concentration in vitro agaianst HIV-1-infected CEM cells relative to uninfected untreated controls				J Med Chem 37: 4297-306 (1995) BindingDB Entry DOI: 10.7270/Q2NP25M9
					More data for this Ligand-Target Pair