Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'la colla' and Initial = 'm'   

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 [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) Show SMILES CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F Show InChI InChI=1S/C18H20F2N2OS/c1-10(15-13(19)8-5-9-14(15)20)16-11(2)17(23)22-18(21-16)24-12-6-3-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2323 (6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(propan...) Show SMILES CC(C)Sc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H18F2N2OS/c1-8(2)22-16-19-14(10(4)15(21)20-16)9(3)13-11(17)6-5-7-12(13)18/h5-9H,1-4H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2322 (6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methyl...) Show SMILES CSc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2OS/c1-7(11-9(15)5-4-6-10(11)16)12-8(2)13(19)18-14(17-12)20-3/h4-7H,1-3H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2324 (2-(butan-2-ylsulfanyl)-6-[1-(2,6-difluorophenyl)et...) Show SMILES CCC(C)Sc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C17H20F2N2OS/c1-5-9(2)23-17-20-15(11(4)16(22)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,5H2,1-4H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2337 (6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...) Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2321 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) Show SMILES CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1F Show InChI InChI=1S/C17H18F2N2OS/c1-10(16-12(18)7-4-8-13(16)19)14-9-15(22)21-17(20-14)23-11-5-2-3-6-11/h4,7-11H,2-3,5-6H2,1H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2335 (2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)meth...) Show SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H18F2N2OS/c1-4-9(2)22-16-19-14(10(3)15(21)20-16)8-11-12(17)6-5-7-13(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2332 (2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)meth...) Show SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2OS/c1-3-9(2)21-15-18-10(8-14(20)19-15)7-11-12(16)5-4-6-13(11)17/h4-6,8-9H,3,7H2,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2331 (6-[(2,6-difluorophenyl)methyl]-2-(propan-2-ylsulfa...) Show SMILES CC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2OS/c1-8(2)20-14-17-9(7-13(19)18-14)6-10-11(15)4-3-5-12(10)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2334 (6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(propan-...) Show SMILES CC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2OS/c1-8(2)21-15-18-13(9(3)14(20)19-15)7-10-11(16)5-4-6-12(10)17/h4-6,8H,7H2,1-3H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2333 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C16H16F2N2OS/c17-13-6-3-7-14(18)12(13)8-10-9-15(21)20-16(19-10)22-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2336 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O Show InChI InChI=1S/C17H18F2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2320 (6-[1-(2,6-difluorophenyl)ethyl]-2-(methylsulfanyl)...) Show SMILES CSc1nc(cc(=O)[nH]1)C(C)c1c(F)cccc1F Show InChI InChI=1S/C13H12F2N2OS/c1-7(12-8(14)4-3-5-9(12)15)10-6-11(18)17-13(16-10)19-2/h3-7H,1-2H3,(H,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair				3D Structure (crystal)
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50497155 (CHEMBL3291362) Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1cnc3c1nc(N)[nH]c3=O)[C@H]2O |r,THB:33:32:3.2:19.20| Show InChI InChI=1S/C11H16N5O14P3/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(28-9,1-26-5)2-27-32(22,23)30-33(24,25)29-31(19,20)21/h3,5-6,9,17H,1-2H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Idenix Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant				Bioorg Med Chem Lett 24: 2699-702 (2014) Article DOI: 10.1016/j.bmcl.2014.04.050 BindingDB Entry DOI: 10.7270/Q2TM7F3N
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2318 (2-(cyclopentylsulfanyl)-6-[1-(naphthalen-1-yl)ethy...) Show SMILES CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2OS/c1-14(17-12-6-8-15-7-2-5-11-18(15)17)19-13-20(24)23-21(22-19)25-16-9-3-4-10-16/h2,5-8,11-14,16H,3-4,9-10H2,1H3,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50497157 (CHEMBL3286448) Show SMILES C[C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1cnc3c1nc(N)[nH]c3=O)[C@H]2O |r,THB:33:32:19.20:3.2| Show InChI InChI=1S/C12H18N5O14P3/c1-11-8(19)12(2-27-11,3-28-33(23,24)31-34(25,26)30-32(20,21)22)29-9(11)17-4-14-5-6(17)15-10(13)16-7(5)18/h4,8-9,19H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,18)/t8-,9+,11+,12+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Idenix Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant				Bioorg Med Chem Lett 24: 2699-702 (2014) Article DOI: 10.1016/j.bmcl.2014.04.050 BindingDB Entry DOI: 10.7270/Q2TM7F3N
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168128 (CHEMBL191655 | O-2-(1,3-dioxoisoindolin-2-yl)ethyl...) Show SMILES O=C1N(CCOC(=S)Nc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C17H14N2O3S/c20-15-13-8-4-5-9-14(13)16(21)19(15)10-11-22-17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 virion reverse transcriptase				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2329 (6-[1-(naphthalen-1-yl)propyl]-2-(propan-2-ylsulfan...) Show SMILES CCC(c1cc(=O)[nH]c(SC(C)C)n1)c1cccc2ccccc12 Show InChI InChI=1S/C20H22N2OS/c1-4-15(17-11-7-9-14-8-5-6-10-16(14)17)18-12-19(23)22-20(21-18)24-13(2)3/h5-13,15H,4H2,1-3H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2330 (2-(cyclohexylsulfanyl)-6-[1-(naphthalen-1-yl)propy...) Show SMILES CCC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C23H26N2OS/c1-2-18(20-14-8-10-16-9-6-7-13-19(16)20)21-15-22(26)25-23(24-21)27-17-11-4-3-5-12-17/h6-10,13-15,17-18H,2-5,11-12H2,1H3,(H,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50497158 (CHEMBL3291360) Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1ccc(N)nc1=O)[C@H]2O |r,THB:30:29:2.3:20.19| Show InChI InChI=1S/C10H16N3O14P3/c11-5-1-2-13(9(15)12-5)8-6-7(14)10(25-8,3-23-6)4-24-29(19,20)27-30(21,22)26-28(16,17)18/h1-2,6-8,14H,3-4H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Idenix Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant				Bioorg Med Chem Lett 24: 2699-702 (2014) Article DOI: 10.1016/j.bmcl.2014.04.050 BindingDB Entry DOI: 10.7270/Q2TM7F3N
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2316 (2-(cyclopentylsulfanyl)-6-(1-phenylethyl)-3,4-dihy...) Show SMILES CC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C17H20N2OS/c1-12(13-7-3-2-4-8-13)15-11-16(20)19-17(18-15)21-14-9-5-6-10-14/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2315 (6-(1-phenylethyl)-2-(propan-2-ylsulfanyl)-3,4-dihy...) Show SMILES CC(C)Sc1nc(cc(=O)[nH]1)C(C)c1ccccc1 Show InChI InChI=1S/C15H18N2OS/c1-10(2)19-15-16-13(9-14(18)17-15)11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2326 (6-(1-phenylpropyl)-2-(propan-2-ylsulfanyl)-3,4-dih...) Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SC(C)C)n1 Show InChI InChI=1S/C16H20N2OS/c1-4-13(12-8-6-5-7-9-12)14-10-15(19)18-16(17-14)20-11(2)3/h5-11,13H,4H2,1-3H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2319 (2-(cyclohexylsulfanyl)-6-[1-(naphthalen-1-yl)ethyl...) Show SMILES CC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C22H24N2OS/c1-15(18-13-7-9-16-8-5-6-12-19(16)18)20-14-21(25)24-22(23-20)26-17-10-3-2-4-11-17/h5-9,12-15,17H,2-4,10-11H2,1H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2328 (2-(cyclohexylsulfanyl)-6-(1-phenylpropyl)-3,4-dihy...) Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCCC2)n1 Show InChI InChI=1S/C19H24N2OS/c1-2-16(14-9-5-3-6-10-14)17-13-18(22)21-19(20-17)23-15-11-7-4-8-12-15/h3,5-6,9-10,13,15-16H,2,4,7-8,11-12H2,1H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2317 (6-[1-(naphthalen-1-yl)ethyl]-2-(propan-2-ylsulfany...) Show SMILES CC(C)Sc1nc(cc(=O)[nH]1)C(C)c1cccc2ccccc12 Show InChI InChI=1S/C19H20N2OS/c1-12(2)23-19-20-17(11-18(22)21-19)13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-13H,1-3H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142737 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:8.7| Show InChI InChI=1S/C17H15NO4/c19-15(11-16(20)17(21)22)9-8-14-7-4-10-18(14)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142737 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:8.7| Show InChI InChI=1S/C17H15NO4/c19-15(11-16(20)17(21)22)9-8-14-7-4-10-18(14)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142740 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:10.9| Show InChI InChI=1S/C19H19NO4/c1-2-24-19(23)18(22)13-17(21)11-10-16-9-6-12-20(16)14-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142740 ((E)-6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-hex-5-en...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccccc1 |w:10.9| Show InChI InChI=1S/C19H19NO4/c1-2-24-19(23)18(22)13-17(21)11-10-16-9-6-12-20(16)14-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2327 (2-(cyclopentylsulfanyl)-6-(1-phenylpropyl)-3,4-dih...) Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C18H22N2OS/c1-2-15(13-8-4-3-5-9-13)16-12-17(21)20-18(19-16)22-14-10-6-7-11-14/h3-5,8-9,12,14-15H,2,6-7,10-11H2,1H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepacivirus C)	BDBM50497159 (CHEMBL3291361) Show SMILES [H][C@]12OC[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O[C@H]1n1ccc(=O)[nH]c1=O)[C@H]2O |r,THB:30:29:2.3:20.19| Show InChI InChI=1S/C10H15N2O15P3/c13-5-1-2-12(9(15)11-5)8-6-7(14)10(25-8,3-23-6)4-24-29(19,20)27-30(21,22)26-28(16,17)18/h1-2,6-8,14H,3-4H2,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18)/t6-,7+,8-,10-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Idenix Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant				Bioorg Med Chem Lett 24: 2699-702 (2014) Article DOI: 10.1016/j.bmcl.2014.04.050 BindingDB Entry DOI: 10.7270/Q2TM7F3N
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair

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