Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'badia' and Initial = 'r'   

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)	BDBM50556159 (CHEMBL4784247) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type HIV-1 p66/p51 reverse transcriptase/nucleic acid/dTTP ternary complex using poly(rA)/oligo(dT) as templates in presence...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556159 (CHEMBL4784247) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to free form of wild type HIV-1 p66/p51 reverse transcriptase using poly(rA)/oligo(dT) as templates in presence of [3H]dTTP				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556159 (CHEMBL4784247) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to wild type HIV-1 p66/p51 reverse transcriptase/nucleic acid binary complex using poly(rA)/oligo(dT) as templates in presence of [3...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422387 (CHEMBL4159171) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C52H76N4O2/c1-53-35-17-7-5-6-8-18-36-54(2)38-20-10-12-22-40-56(44-50-24-14-16-26-52(50)58-4)42-46-29-33-48(34-30-46)47-31-27-45(28-32-47)41-55(39-21-11-9-19-37-53)43-49-23-13-15-25-51(49)57-3/h13-16,23-34H,5-12,17-22,35-44H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464028 (CHEMBL4241164) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20ClN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 10 mins followed by subst...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50422394 (CHEMBL3558149) Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39(29-19-9-5-15-25-37)27-17-7-3-4-8-18-28-40(30-20-10-6-16-26-38)32-34-22-12-14-24-36(34)42-2/h11-14,21-24H,3-10,15-20,25-32,37-38H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033881 (CHEMBL3358173) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1cccs1 Show InChI InChI=1S/C23H21ClN2O3S2/c1-14-10-15(2)12-18(11-14)31(28,29)22-19-13-16(24)5-6-20(19)26-21(22)23(27)25-8-7-17-4-3-9-30-17/h3-6,9-13,26H,7-8H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556161 (CHEMBL4759261) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RNA-dependent DNA polymerase activity of recombinant HIV-1 p66/p51 reverse transcriptase K103N mutant assessed as inhibition of [3H]dTT...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus-infected insect cells using Rh-EVNLDAEFK-quencher as substrate mea...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033878 (CHEMBL3358170) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccco1 Show InChI InChI=1S/C22H19ClN2O4S/c1-13-8-14(2)10-17(9-13)30(27,28)21-18-11-15(23)5-6-19(18)25-20(21)22(26)24-12-16-4-3-7-29-16/h3-11,25H,12H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50497099 (CHEMBL3263459) Show SMILES COc1ccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C25H23ClN2O4S/c1-15-10-16(2)12-20(11-15)33(30,31)24-21-13-18(26)6-9-22(21)28-23(24)25(29)27-14-17-4-7-19(32-3)8-5-17/h4-13,28H,14H2,1-3H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033865 (CHEMBL3358161) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccncn1 Show InChI InChI=1S/C22H19ClN4O3S/c1-13-7-14(2)9-17(8-13)31(29,30)21-18-10-15(23)3-4-19(18)27-20(21)22(28)25-11-16-5-6-24-12-26-16/h3-10,12,27H,11H2,1-2H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase Y181I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556160 (CHEMBL4755777) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RNA-dependent DNA polymerase activity of recombinant HIV-1 p66/p51 reverse transcriptase K103N mutant assessed as inhibition of [3H]dTT...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50497108 (CHEMBL3263466) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C24H22ClN3O3S/c1-14-9-15(2)11-19(10-14)32(30,31)23-20-12-17(25)5-8-21(20)28-22(23)24(29)27-13-16-3-6-18(26)7-4-16/h3-12,28H,13,26H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033878 (CHEMBL3358170) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccco1 Show InChI InChI=1S/C22H19ClN2O4S/c1-13-8-14(2)10-17(9-13)30(27,28)21-18-11-15(23)5-6-19(18)25-20(21)22(26)24-12-16-4-3-7-29-16/h3-11,25H,12H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase V106A mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase V106A mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RNA-dependent DNA polymerase activity of wild type recombinant HIV-1 His-tagged p66/p51 reverse transcriptase assessed as inhibition of...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 NL4-3 reverse transcriptase His-tagged p66/p51 associated RNA dependent DNA polymerase activity expressed in Escherichia coli asse...				J Med Chem 60: 6528-6547 (2017) Article DOI: 10.1021/acs.jmedchem.6b01906 BindingDB Entry DOI: 10.7270/Q28K7CTX
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50497092 (CHEMBL3263471) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1cccc(Cl)c1 Show InChI InChI=1S/C25H22Cl2N2O3S/c1-15-10-16(2)12-20(11-15)33(31,32)24-21-14-19(27)6-7-22(21)29-23(24)25(30)28-9-8-17-4-3-5-18(26)13-17/h3-7,10-14,29H,8-9H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556164 (CHEMBL4788245) Show SMILES CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)C(=O)NCc1cccc(O)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RNA-dependent DNA polymerase activity of recombinant HIV-1 p66/p51 reverse transcriptase K103N mutant assessed as inhibition of [3H]dTT...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					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	12	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					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	12	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033883 (CHEMBL1766221) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H21ClN2O3S/c1-15-10-16(2)12-19(11-15)31(29,30)23-20-13-18(25)8-9-21(20)27-22(23)24(28)26-14-17-6-4-3-5-7-17/h3-13,27H,14H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033877 (CHEMBL3358169) Show SMILES CN(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1 Show InChI InChI=1S/C24H22ClN3O3S/c1-15-11-16(2)13-19(12-15)32(30,31)23-20-14-17(25)9-10-21(20)26-22(23)24(29)27-28(3)18-7-5-4-6-8-18/h4-14,26H,1-3H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033864 (CHEMBL3358160) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1cccc(N)c1 Show InChI InChI=1S/C23H20ClN3O3S/c1-13-8-14(2)10-18(9-13)31(29,30)22-19-11-15(24)6-7-20(19)27-21(22)23(28)26-17-5-3-4-16(25)12-17/h3-12,27H,25H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50556160 (CHEMBL4755777) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RNA-dependent DNA polymerase activity of wild type recombinant HIV-1 His-tagged p66/p51 reverse transcriptase assessed as inhibition of...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033862 (CHEMBL3358175) Show SMILES C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RNA-dependent DNA polymerase activity of recombinant HIV-1 p66/p51 reverse transcriptase K103N mutant assessed as inhibition of [3H]dTT...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112696 BindingDB Entry DOI: 10.7270/Q21C21HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033875 (CHEMBL3358167) Show SMILES CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033883 (CHEMBL1766221) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H21ClN2O3S/c1-15-10-16(2)12-19(11-15)31(29,30)23-20-13-18(25)8-9-21(20)27-22(23)24(28)26-14-17-6-4-3-5-7-17/h3-13,27H,14H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mi...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50497091 (CHEMBL3263464) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C24H20ClN3O5S/c1-14-9-15(2)11-18(10-14)34(32,33)23-19-12-17(25)7-8-20(19)27-22(23)24(29)26-13-16-5-3-4-6-21(16)28(30)31/h3-12,27H,13H2,1-2H3,(H,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50469959 (CHEMBL4068998) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)Nc1ccnc(c1)C#N Show InChI InChI=1S/C23H17ClN4O3S/c1-13-7-14(2)9-18(8-13)32(30,31)22-19-10-15(24)3-4-20(19)28-21(22)23(29)27-16-5-6-26-17(11-16)12-25/h3-11,28H,1-2H3,(H,26,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 NL4-3 reverse transcriptase His-tagged p66/p51 associated RNA dependent DNA polymerase activity expressed in Escherichia coli asse...				J Med Chem 60: 6528-6547 (2017) Article DOI: 10.1021/acs.jmedchem.6b01906 BindingDB Entry DOI: 10.7270/Q28K7CTX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured f...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50497091 (CHEMBL3263464) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C24H20ClN3O5S/c1-14-9-15(2)11-18(10-14)34(32,33)23-19-12-17(25)7-8-20(19)27-22(23)24(29)26-13-16-5-3-4-6-21(16)28(30)31/h3-12,27H,13H2,1-2H3,(H,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50497101 (CHEMBL3263463) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-9-15(2)11-19(10-14)32(30,31)23-20-12-17(25)5-8-21(20)28-22(23)24(29)27-13-16-3-6-18(26)7-4-16/h3-12,28H,13H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase V106A mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50497101 (CHEMBL3263463) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-9-15(2)11-19(10-14)32(30,31)23-20-12-17(25)5-8-21(20)28-22(23)24(29)27-13-16-3-6-18(26)7-4-16/h3-12,28H,13H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033884 (CHEMBL1766233) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H23ClN2O3S/c1-16-12-17(2)14-20(13-16)32(30,31)24-21-15-19(26)8-9-22(21)28-23(24)25(29)27-11-10-18-6-4-3-5-7-18/h3-9,12-15,28H,10-11H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033880 (CHEMBL3358172) Show SMILES CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1cccs1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50497096 (CHEMBL3263479) Show SMILES C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C25H23ClN2O3S/c1-15-11-16(2)13-20(12-15)32(30,31)24-21-14-19(26)9-10-22(21)28-23(24)25(29)27-17(3)18-7-5-4-6-8-18/h4-14,17,28H,1-3H3,(H,27,29)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase V106A mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033866 (CHEMBL3358166) Show SMILES CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccccn1 Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-18(11-14)32(30,31)23-19-13-17(25)7-8-21(19)28-22(23)24(29)27-16(3)20-6-4-5-9-26-20/h4-13,16,28H,1-3H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50497101 (CHEMBL3263463) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C24H20ClFN2O3S/c1-14-9-15(2)11-19(10-14)32(30,31)23-20-12-17(25)5-8-21(20)28-22(23)24(29)27-13-16-3-6-18(26)7-4-16/h3-12,28H,13H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation counting				Eur J Med Chem 80: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.04.027 BindingDB Entry DOI: 10.7270/Q2VM4G8G
					More data for this Ligand-Target Pair

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