Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50004955   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030532 (CHEMBL62196 | Ethyl-methyl-carbamic acid 4-(2,6-di...) Show SMILES CCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl |(12.79,-1.52,;12.16,-.12,;10.62,.04,;9.99,1.44,;9.71,-1.21,;10.34,-2.62,;8.19,-1.05,;7.29,-2.29,;7.75,-3.76,;6.52,-4.67,;5.26,-3.76,;5.75,-2.29,;4.84,-1.05,;3.31,-1.22,;2.69,-2.62,;2.4,.02,;3.03,1.44,;4.56,1.6,;5.47,.35,;7.01,.35,)| Show InChI InChI=1S/C12H11Cl2N3O2S/c1-3-17(2)12(18)19-11-10(15-20-16-11)9-7(13)5-4-6-8(9)14/h4-6H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rC)-oligo (dG)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030537 (CHEMBL60314 | Methyl-propyl-carbamic acid 4-(2,6-d...) Show SMILES CCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl |(15.73,-8.85,;14.26,-9.32,;13.12,-8.28,;11.65,-8.76,;10.51,-7.71,;11.32,-10.25,;12.47,-11.29,;9.85,-10.73,;9.53,-12.23,;10.55,-13.38,;9.78,-14.71,;8.27,-14.38,;8.12,-12.86,;6.79,-12.09,;5.46,-12.84,;5.46,-14.38,;4.14,-12.09,;4.14,-10.55,;5.46,-9.76,;6.79,-10.55,;8.13,-9.78,)| Show InChI InChI=1S/C13H13Cl2N3O2S/c1-3-7-18(2)13(19)20-12-11(16-21-17-12)10-8(14)5-4-6-9(10)15/h4-6H,3,7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rC)-oligo (dG)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030532 (CHEMBL62196 | Ethyl-methyl-carbamic acid 4-(2,6-di...) Show SMILES CCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl |(12.79,-1.52,;12.16,-.12,;10.62,.04,;9.99,1.44,;9.71,-1.21,;10.34,-2.62,;8.19,-1.05,;7.29,-2.29,;7.75,-3.76,;6.52,-4.67,;5.26,-3.76,;5.75,-2.29,;4.84,-1.05,;3.31,-1.22,;2.69,-2.62,;2.4,.02,;3.03,1.44,;4.56,1.6,;5.47,.35,;7.01,.35,)| Show InChI InChI=1S/C12H11Cl2N3O2S/c1-3-17(2)12(18)19-11-10(15-20-16-11)9-7(13)5-4-6-8(9)14/h4-6H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030537 (CHEMBL60314 | Methyl-propyl-carbamic acid 4-(2,6-d...) Show SMILES CCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl |(15.73,-8.85,;14.26,-9.32,;13.12,-8.28,;11.65,-8.76,;10.51,-7.71,;11.32,-10.25,;12.47,-11.29,;9.85,-10.73,;9.53,-12.23,;10.55,-13.38,;9.78,-14.71,;8.27,-14.38,;8.12,-12.86,;6.79,-12.09,;5.46,-12.84,;5.46,-14.38,;4.14,-12.09,;4.14,-10.55,;5.46,-9.76,;6.79,-10.55,;8.13,-9.78,)| Show InChI InChI=1S/C13H13Cl2N3O2S/c1-3-7-18(2)13(19)20-12-11(16-21-17-12)10-8(14)5-4-6-9(10)15/h4-6H,3,7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030540 (Butyl-methyl-carbamic acid 4-(2,6-dichloro-phenyl)...) Show SMILES CCCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl |(14.94,-3.1,;14.31,-1.69,;12.79,-1.52,;12.16,-.12,;10.62,.04,;9.99,1.44,;9.71,-1.21,;10.34,-2.62,;8.19,-1.05,;7.29,-2.29,;7.75,-3.76,;6.52,-4.67,;5.26,-3.76,;5.75,-2.29,;4.84,-1.05,;3.31,-1.22,;2.69,-2.62,;2.4,.02,;3.03,1.44,;4.56,1.6,;5.47,.35,;7.01,.35,)| Show InChI InChI=1S/C14H15Cl2N3O2S/c1-3-4-8-19(2)14(20)21-13-12(17-22-18-13)11-9(15)6-5-7-10(11)16/h5-7H,3-4,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030540 (Butyl-methyl-carbamic acid 4-(2,6-dichloro-phenyl)...) Show SMILES CCCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl |(14.94,-3.1,;14.31,-1.69,;12.79,-1.52,;12.16,-.12,;10.62,.04,;9.99,1.44,;9.71,-1.21,;10.34,-2.62,;8.19,-1.05,;7.29,-2.29,;7.75,-3.76,;6.52,-4.67,;5.26,-3.76,;5.75,-2.29,;4.84,-1.05,;3.31,-1.22,;2.69,-2.62,;2.4,.02,;3.03,1.44,;4.56,1.6,;5.47,.35,;7.01,.35,)| Show InChI InChI=1S/C14H15Cl2N3O2S/c1-3-4-8-19(2)14(20)21-13-12(17-22-18-13)11-9(15)6-5-7-10(11)16/h5-7H,3-4,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030539 (2-(2-Acetyl-5-methyl-phenylamino)-2-(2,6-dichloro-...) Show SMILES CC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030539 (2-(2-Acetyl-5-methyl-phenylamino)-2-(2,6-dichloro-...) Show SMILES CC(=O)c1ccc(C)cc1NC(C(N)=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 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/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tosoh Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect of the compound on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)				J Med Chem 38: 2038-40 (1995) BindingDB Entry DOI: 10.7270/Q2BZ6532
					More data for this Ligand-Target Pair