Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'lovgren' and Initial = 's'   

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
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM854 (C2-Symmetric inhibitor 12 | CHEMBL127045 | N1,N6-B...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(\C=C\C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(\C=C\C(=O)OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C40H54N4O12/c1-23(2)31(37(49)41-5)43-39(51)35(55-21-27-13-9-25(10-14-27)17-19-29(45)53-7)33(47)34(48)36(40(52)44-32(24(3)4)38(50)42-6)56-22-28-15-11-26(12-16-28)18-20-30(46)54-8/h9-20,23-24,31-36,47-48H,21-22H2,1-8H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)/b19-17+,20-18+/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0900	-58.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM855 ((2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H58N4O12/c1-23(2)33(41(55)45-5)47-43(57)39(59-21-25-13-17-27(18-14-25)29-9-7-11-31(49)35(29)51)37(53)38(54)40(44(58)48-34(24(3)4)42(56)46-6)60-22-26-15-19-28(20-16-26)30-10-8-12-32(50)36(30)52/h13-20,23-24,29-30,33-34,37-40,53-54H,7-12,21-22H2,1-6H3,(H,45,55)(H,46,56)(H,47,57)(H,48,58)/t29?,30?,33-,34-,37+,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM851 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM845 ((2R,3R,4R,5R)-2,5-bis[(4-bromophenyl)methoxy]-3,4-...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(Br)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(Br)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C32H44Br2N4O8/c1-17(2)23(29(41)35-5)37-31(43)27(45-15-19-7-11-21(33)12-8-19)25(39)26(40)28(46-16-20-9-13-22(34)14-10-20)32(44)38-24(18(3)4)30(42)36-6/h7-14,17-18,23-28,39-40H,15-16H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM348 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C32H46N4O8/c1-19(2)23(29(39)33-5)35-31(41)27(43-17-21-13-9-7-10-14-21)25(37)26(38)28(44-18-22-15-11-8-12-16-22)32(42)36-24(20(3)4)30(40)34-6/h7-16,19-20,23-28,37-38H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)/t23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	-54.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM852 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccccn1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccccn1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-13-17-29(18-14-27)31-11-7-9-21-45-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-15-19-30(20-16-28)32-12-8-10-22-46-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM853 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1nccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1nccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C38H48N6O8S2/c1-21(2)27(33(47)39-5)43-35(49)31(51-19-23-7-11-25(12-8-23)37-41-15-17-53-37)29(45)30(46)32(36(50)44-28(22(3)4)34(48)40-6)52-20-24-9-13-26(14-10-24)38-42-16-18-54-38/h7-18,21-22,27-32,45-46H,19-20H2,1-6H3,(H,39,47)(H,40,48)(H,43,49)(H,44,50)/t27-,28-,29+,30+,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.600	-53.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM846 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H54N4O8/c1-27(2)35(41(51)45-5)47-43(53)39(55-25-29-17-21-33(22-18-29)31-13-9-7-10-14-31)37(49)38(50)40(44(54)48-36(28(3)4)42(52)46-6)56-26-30-19-23-34(24-20-30)32-15-11-8-12-16-32/h7-24,27-28,35-40,49-50H,25-26H2,1-6H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37+,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	-53.1	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM848 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccsc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccsc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.20	-51.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM849 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-21-25-11-15-27(16-12-25)29-9-7-19-53-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-22-26-13-17-28(18-14-26)30-10-8-20-54-30/h7-20,23-24,31-36,45-46H,21-22H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-51.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM847 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccc(c1)N(=O)=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccc(c1)N(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C44H52N6O12/c1-25(2)35(41(53)45-5)47-43(55)39(61-23-27-13-17-29(18-14-27)31-9-7-11-33(21-31)49(57)58)37(51)38(52)40(44(56)48-36(26(3)4)42(54)46-6)62-24-28-15-19-30(20-16-28)32-10-8-12-34(22-32)50(59)60/h7-22,25-26,35-40,51-52H,23-24H2,1-6H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t35-,36-,37+,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	-51.4	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM850 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(CCc2ccccc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(CCc2ccccc2)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C48H62N4O8/c1-31(2)39(45(55)49-5)51-47(57)43(59-29-37-25-21-35(22-26-37)19-17-33-13-9-7-10-14-33)41(53)42(54)44(48(58)52-40(32(3)4)46(56)50-6)60-30-38-27-23-36(24-28-38)20-18-34-15-11-8-12-16-34/h7-16,21-28,31-32,39-44,53-54H,17-20,29-30H2,1-6H3,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t39-,40-,41+,42+,43+,44+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	-48.9	n/a	n/a	n/a	n/a	n/a	5.0	30
Uppsala University					Assay Description Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed a...				J Med Chem 42: 3835-44 (1999) Article DOI: 10.1021/jm9910371 BindingDB Entry DOI: 10.7270/Q2T151VX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2722 (3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...) Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 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/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2721 (1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluo...) Show SMILES CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2723 (3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...) Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(19)16(17(14)20)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2735 ((1S,2S)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r| Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2717 (1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...) Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)	PDB MMDB UniProtKB/SwissProt 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	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2734 ((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r| Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2731 (1-(5-bromopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...) Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Br)cn2)c1O Show InChI InChI=1S/C17H15BrFN3O3/c1-8(23)10-3-4-12(19)15(16(10)24)11-6-13(11)21-17(25)22-14-5-2-9(18)7-20-14/h2-5,7,11,13,24H,6H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2732 ((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r| Show InChI InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2860 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 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/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2735 ((1S,2S)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r| Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2725 (3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)cyclopropyl...) Show SMILES CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2733 ((1S,2S)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r| Show InChI InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2730 (1-(5-cyanopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...) Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O Show InChI InChI=1S/C18H15FN4O3/c1-9(24)11-3-4-13(19)16(17(11)25)12-6-14(12)22-18(26)23-15-5-2-10(7-20)8-21-15/h2-5,8,12,14,25H,6H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 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/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2729 (1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3...) Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O Show InChI InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2731 (1-(5-bromopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...) Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Br)cn2)c1O Show InChI InChI=1S/C17H15BrFN3O3/c1-8(23)10-3-4-12(19)15(16(10)24)11-6-13(11)21-17(25)22-14-5-2-9(18)7-20-14/h2-5,7,11,13,24H,6H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2737 (3,4-dihydroquinoxaline-2(1H)-thione derivative | H...) Show SMILES COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |r| Show InChI InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2728 (1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...) Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2737 (3,4-dihydroquinoxaline-2(1H)-thione derivative | H...) Show SMILES COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |r| Show InChI InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2733 ((1S,2S)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r| Show InChI InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank 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
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2721 (1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluo...) Show SMILES CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2730 (1-(5-cyanopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...) Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O Show InChI InChI=1S/C18H15FN4O3/c1-9(24)11-3-4-13(19)16(17(11)25)12-6-14(12)22-18(26)23-15-5-2-10(7-20)8-21-15/h2-5,8,12,14,25H,6H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2732 ((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r| Show InChI InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2729 (1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3...) Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O Show InChI InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2734 ((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r| Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1	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	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2723 (3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...) Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(19)16(17(14)20)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)	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
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2722 (3-[2-(6-chloro-3-ethoxy-2-fluorophenyl)cyclopropyl...) Show SMILES CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2716 (1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...) Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.8	37
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2733 ((1S,2S)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r| Show InChI InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2728 (1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...) Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2737 (3,4-dihydroquinoxaline-2(1H)-thione derivative | H...) Show SMILES COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |r| Show InChI InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2728 (1-(5-chloropyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-...) Show SMILES CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 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/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	61	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2731 (1-(5-bromopyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-...) Show SMILES CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Br)cn2)c1O Show InChI InChI=1S/C17H15BrFN3O3/c1-8(23)10-3-4-12(19)15(16(10)24)11-6-13(11)21-17(25)22-14-5-2-9(18)7-20-14/h2-5,7,11,13,24H,6H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2735 ((1S,2S)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r| Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K690N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2734 ((1R,2R)-N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylph...) Show SMILES CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r| Show InChI InChI=1S/C18H17ClFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB					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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G
					More data for this Ligand-Target Pair

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