Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50006104   

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)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					More data for this Ligand-Target Pair
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	38	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50496958 (CHEMBL3236843) Show SMILES Cc1ccc(cc1)C(C)(O)c1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C20H18N4O/c1-14-3-7-16(8-4-14)20(2,25)18-11-12-22-19(24-18)23-17-9-5-15(13-21)6-10-17/h3-12,25H,1-2H3,(H,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50496955 (CHEMBL3236849) Show SMILES CC(O)(c1cccc(Br)c1)c1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H15BrN4O/c1-19(25,14-3-2-4-15(20)11-14)17-9-10-22-18(24-17)23-16-7-5-13(12-21)6-8-16/h2-11,25H,1H3,(H,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50496956 (CHEMBL3236847) Show SMILES CC(O)(c1cccc(F)c1)c1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H15FN4O/c1-19(25,14-3-2-4-15(20)11-14)17-9-10-22-18(24-17)23-16-7-5-13(12-21)6-8-16/h2-11,25H,1H3,(H,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					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	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50496957 (CHEMBL3236842) Show SMILES CC(O)(c1ccccc1)c1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C19H16N4O/c1-19(24,15-5-3-2-4-6-15)17-11-12-21-18(23-17)22-16-9-7-14(13-20)8-10-16/h2-12,24H,1H3,(H,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry				Bioorg Med Chem 22: 2535-41 (2014) Article DOI: 10.1016/j.bmc.2014.02.030 BindingDB Entry DOI: 10.7270/Q2K93BH0
					More data for this Ligand-Target Pair