Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'ma' and Initial = 'xd'   

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)	BDBM50485688 (CHEMBL2151836) Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1C)S(N)(=O)=O Show InChI InChI=1S/C24H24ClN3O5S/c1-14-4-5-17(10-15(14)2)24(30)28-21-12-18(25)6-9-22(21)33-13-23(29)27-20-8-7-19(11-16(20)3)34(26,31)32/h4-12H,13H2,1-3H3,(H,27,29)(H,28,30)(H2,26,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	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 activity using poly (rA)/oligo (dT)15 homopolymer template after 1 hr by ELISA				Eur J Med Chem 58: 504-12 (2012) Article DOI: 10.1016/j.ejmech.2012.03.032 BindingDB Entry DOI: 10.7270/Q2K07747
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50485689 (CHEMBL2151844) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H18Cl2N4O5S/c1-13-6-18(35(27,32)33)3-4-19(13)28-22(30)12-34-21-5-2-16(24)10-20(21)29-23(31)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,30)(H,29,31)(H2,27,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	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 activity using poly (rA)/oligo (dT)15 homopolymer template after 1 hr by ELISA				Eur J Med Chem 58: 504-12 (2012) Article DOI: 10.1016/j.ejmech.2012.03.032 BindingDB Entry DOI: 10.7270/Q2K07747
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478026 (CHEMBL203420 | GW678248 | GW8248) Show SMILES Cc1cc(ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(c1)C#N)S(N)(=O)=O Show InChI InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.70	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 activity using poly (rA)/oligo (dT)15 homopolymer template after 1 hr by ELISA				Eur J Med Chem 58: 504-12 (2012) Article DOI: 10.1016/j.ejmech.2012.03.032 BindingDB Entry DOI: 10.7270/Q2K07747
					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	48	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50485192 (CHEMBL1817673) Show SMILES OC(c1ccnc(Nc2ccc(cc2)C#N)n1)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4O/c19-15-4-2-1-3-14(15)17(24)16-9-10-21-18(23-16)22-13-7-5-12(11-20)6-8-13/h1-10,17,24H,(H,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 wildtype reverse transcriptase using poly(rA)/oligo(dT)15 as template by colometric streptavidin alkaline phosphate reporter assay				Eur J Med Chem 53: 229-34 (2012) Article DOI: 10.1016/j.ejmech.2012.04.004 BindingDB Entry DOI: 10.7270/Q2KK9FN2
					More data for this Ligand-Target Pair
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	980	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV1 wildtype reverse transcriptase using poly(rA)/oligo(dT)15 as template by colometric streptavidin alkaline phosphate reporter assay				Eur J Med Chem 53: 229-34 (2012) Article DOI: 10.1016/j.ejmech.2012.04.004 BindingDB Entry DOI: 10.7270/Q2KK9FN2
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492329 (CHEMBL2402968) Show SMILES COCCc1ccc(Oc2nc(Nc3ccc(cc3)C#N)ncc2C)cc1 Show InChI InChI=1S/C21H20N4O2/c1-15-14-23-21(24-18-7-3-17(13-22)4-8-18)25-20(15)27-19-9-5-16(6-10-19)11-12-26-2/h3-10,14H,11-12H2,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492328 (CHEMBL2402857) Show SMILES COCCc1ccc(Oc2ccnc(Nc3ccc(cc3)C#N)n2)cc1 Show InChI InChI=1S/C20H18N4O2/c1-25-13-11-15-4-8-18(9-5-15)26-19-10-12-22-20(24-19)23-17-6-2-16(14-21)3-7-17/h2-10,12H,11,13H2,1H3,(H,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					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	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492334 (CHEMBL2402963) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1Oc1nc(Nc2ccc(cc2)C#N)ncc1C Show InChI InChI=1S/C27H21ClN4O2/c1-16-10-17(2)12-20(11-16)25(33)23-13-21(28)6-9-24(23)34-26-18(3)15-30-27(32-26)31-22-7-4-19(14-29)5-8-22/h4-13,15H,1-3H3,(H,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492327 (CHEMBL2402852) Show SMILES Cc1cc(C)cc(c1)C(=O)c1cc(Cl)ccc1Oc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C26H19ClN4O2/c1-16-11-17(2)13-19(12-16)25(32)22-14-20(27)5-8-23(22)33-24-9-10-29-26(31-24)30-21-6-3-18(15-28)4-7-21/h3-14H,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492326 (CHEMBL2402853) Show SMILES Cc1ccccc1C(=O)c1cc(Cl)ccc1Oc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C25H17ClN4O2/c1-16-4-2-3-5-20(16)24(31)21-14-18(26)8-11-22(21)32-23-12-13-28-25(30-23)29-19-9-6-17(15-27)7-10-19/h2-14H,1H3,(H,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492336 (CHEMBL2402966) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Oc1ccc(cc1)C(=O)c1ccc(O)cc1 Show InChI InChI=1S/C25H18N4O3/c1-16-15-27-25(28-20-8-2-17(14-26)3-9-20)29-24(16)32-22-12-6-19(7-13-22)23(31)18-4-10-21(30)11-5-18/h2-13,15,30H,1H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492325 (CHEMBL2402964) Show SMILES Cc1ccccc1C(=O)c1cc(Cl)ccc1Oc1nc(Nc2ccc(cc2)C#N)ncc1C Show InChI InChI=1S/C26H19ClN4O2/c1-16-5-3-4-6-21(16)24(32)22-13-19(27)9-12-23(22)33-25-17(2)15-29-26(31-25)30-20-10-7-18(14-28)8-11-20/h3-13,15H,1-2H3,(H,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492332 (CHEMBL2402855) Show SMILES Oc1ccc(cc1)C(=O)c1ccc(Oc2ccnc(Nc3ccc(cc3)C#N)n2)cc1 Show InChI InChI=1S/C24H16N4O3/c25-15-16-1-7-19(8-2-16)27-24-26-14-13-22(28-24)31-21-11-5-18(6-12-21)23(30)17-3-9-20(29)10-4-17/h1-14,29H,(H,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492335 (CHEMBL2402961) Show SMILES COCCc1ccc(Oc2cc(C)nc(Nc3ccc(cc3)C#N)n2)cc1 Show InChI InChI=1S/C21H20N4O2/c1-15-13-20(27-19-9-5-16(6-10-19)11-12-26-2)25-21(23-15)24-18-7-3-17(14-22)4-8-18/h3-10,13H,11-12H2,1-2H3,(H,23,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492331 (CHEMBL2402959) Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)c2ccc(O)cc2)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C25H18N4O3/c1-16-14-23(29-25(27-16)28-20-8-2-17(15-26)3-9-20)32-22-12-6-19(7-13-22)24(31)18-4-10-21(30)11-5-18/h2-14,30H,1H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492330 (CHEMBL2402960) Show SMILES Cc1cc(Oc2ccc(OCc3ccccc3)cc2)nc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C25H20N4O2/c1-18-15-24(29-25(27-18)28-21-9-7-19(16-26)8-10-21)31-23-13-11-22(12-14-23)30-17-20-5-3-2-4-6-20/h2-15H,17H2,1H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492333 (CHEMBL2402856) Show SMILES N#Cc1ccc(Nc2nccc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1 Show InChI InChI=1S/C24H18N4O2/c25-16-18-6-8-20(9-7-18)27-24-26-15-14-23(28-24)30-22-12-10-21(11-13-22)29-17-19-4-2-1-3-5-19/h1-15H,17H2,(H,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM1944 (BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV RT K103N/Y181C mutant by cell based assay				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV RT K103N/Y181C mutant by cell based assay				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM222178 (Rilpivirine) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV RT K103N/Y181C mutant by cell based assay				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (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	n/a	n/a	5	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of HIV RT K103N/Y181C mutant by cell based assay				Eur J Med Chem 65: 134-43 (2013) Article DOI: 10.1016/j.ejmech.2013.04.052 BindingDB Entry DOI: 10.7270/Q2736TTS
					More data for this Ligand-Target Pair