Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50045880   

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)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088017 (CHEMBL3427057) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(O)cc3)CC2)n1)C#N Show InChI InChI=1S/C26H28N6O3/c1-17-13-19(15-27)14-18(2)25(17)35-24-7-10-28-26(31-24)30-21-8-11-32(12-9-21)16-23(34)29-20-3-5-22(33)6-4-20/h3-7,10,13-14,21,33H,8-9,11-12,16H2,1-2H3,(H,29,34)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088018 (CHEMBL3427058) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)CC2)n1)C#N Show InChI InChI=1S/C26H29N7O4S/c1-17-13-19(15-27)14-18(2)25(17)37-24-7-10-29-26(32-24)31-21-8-11-33(12-9-21)16-23(34)30-20-3-5-22(6-4-20)38(28,35)36/h3-7,10,13-14,21H,8-9,11-12,16H2,1-2H3,(H,30,34)(H2,28,35,36)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088016 (CHEMBL3427056) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(cc3)[N+]([O-])=O)CC2)n1)C#N Show InChI InChI=1S/C26H27N7O4/c1-17-13-19(15-27)14-18(2)25(17)37-24-7-10-28-26(31-24)30-21-8-11-32(12-9-21)16-23(34)29-20-3-5-22(6-4-20)33(35)36/h3-7,10,13-14,21H,8-9,11-12,16H2,1-2H3,(H,29,34)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088015 (CHEMBL3426974) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3cccc(c3)[N+]([O-])=O)CC2)n1)C#N Show InChI InChI=1S/C26H27N7O4/c1-17-12-19(15-27)13-18(2)25(17)37-24-6-9-28-26(31-24)30-20-7-10-32(11-8-20)16-23(34)29-21-4-3-5-22(14-21)33(35)36/h3-6,9,12-14,20H,7-8,10-11,16H2,1-2H3,(H,29,34)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088019 (CHEMBL3427059) Show SMILES Cc1cc(ccc1NC(=O)CN1CCC(CC1)Nc1nccc(Oc2c(C)cc(cc2C)C#N)n1)S(N)(=O)=O Show InChI InChI=1S/C27H31N7O4S/c1-17-14-22(39(29,36)37)4-5-23(17)32-24(35)16-34-10-7-21(8-11-34)31-27-30-9-6-25(33-27)38-26-18(2)12-20(15-28)13-19(26)3/h4-6,9,12-14,21H,7-8,10-11,16H2,1-3H3,(H,32,35)(H2,29,36,37)(H,30,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088011 (CHEMBL3426972) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(cc3F)C#N)CC2)n1)C#N Show InChI InChI=1S/C27H26FN7O2/c1-17-11-20(15-30)12-18(2)26(17)37-25-5-8-31-27(34-25)32-21-6-9-35(10-7-21)16-24(36)33-23-4-3-19(14-29)13-22(23)28/h3-5,8,11-13,21H,6-7,9-10,16H2,1-2H3,(H,33,36)(H,31,32,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50087999 (CHEMBL3426956) Show SMILES Cc1ccc(NC(=O)CN2CCC(CC2)Nc2nccc(Oc3c(C)cc(cc3C)C#N)n2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-18-4-6-22(7-5-18)30-24(34)17-33-12-9-23(10-13-33)31-27-29-11-8-25(32-27)35-26-19(2)14-21(16-28)15-20(26)3/h4-8,11,14-15,23H,9-10,12-13,17H2,1-3H3,(H,30,34)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088012 (CHEMBL3426973) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3[N+]([O-])=O)CC2)n1)C#N Show InChI InChI=1S/C26H27N7O4/c1-17-13-19(15-27)14-18(2)25(17)37-24-7-10-28-26(31-24)29-20-8-11-32(12-9-20)16-23(34)30-21-5-3-4-6-22(21)33(35)36/h3-7,10,13-14,20H,8-9,11-12,16H2,1-2H3,(H,30,34)(H,28,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50087957 (CHEMBL3426953) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3)CC2)n1)C#N Show InChI InChI=1S/C26H28N6O2/c1-18-14-20(16-27)15-19(2)25(18)34-24-8-11-28-26(31-24)30-22-9-12-32(13-10-22)17-23(33)29-21-6-4-3-5-7-21/h3-8,11,14-15,22H,9-10,12-13,17H2,1-2H3,(H,29,33)(H,28,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088010 (CHEMBL3426962) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1)C#N Show InChI InChI=1S/C26H27FN6O2/c1-17-13-19(15-28)14-18(2)25(17)35-24-7-10-29-26(32-24)31-22-8-11-33(12-9-22)16-23(34)30-21-5-3-20(27)4-6-21/h3-7,10,13-14,22H,8-9,11-12,16H2,1-2H3,(H,30,34)(H,29,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50088007 (CHEMBL3426960) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccccc3F)CC2)n1)C#N Show InChI InChI=1S/C26H27FN6O2/c1-17-13-19(15-28)14-18(2)25(17)35-24-7-10-29-26(32-24)30-20-8-11-33(12-9-20)16-23(34)31-22-6-4-3-5-21(22)27/h3-7,10,13-14,20H,8-9,11-12,16H2,1-2H3,(H,31,34)(H,29,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair
Reverse transcriptase (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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly...				Eur J Med Chem 97: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.050 BindingDB Entry DOI: 10.7270/Q22Z178R
					More data for this Ligand-Target Pair