Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'ptak' and Initial = 'rg'   

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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity				Antimicrob Agents Chemother 52: 1302-17 (2008) Article DOI: 10.1128/AAC.01324-07 BindingDB Entry DOI: 10.7270/Q21836R5
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50339126 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-sec-buty...) Show SMILES CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t39-,40+,41-,42+,43-,44-,45-,46-,48-,49-,50-,51-,52+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity				Antimicrob Agents Chemother 52: 1302-17 (2008) Article DOI: 10.1128/AAC.01324-07 BindingDB Entry DOI: 10.7270/Q21836R5
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	9.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity				Antimicrob Agents Chemother 52: 1302-17 (2008) Article DOI: 10.1128/AAC.01324-07 BindingDB Entry DOI: 10.7270/Q21836R5
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507068 (CHEMBL4467904) Show SMILES CC(C)(C)OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C36H32N2O4/c1-36(2,3)42-35(41)31-9-5-7-25(19-31)23-38-17-15-27-11-13-29(21-33(27)38)28-12-10-26-14-16-37(32(26)20-28)22-24-6-4-8-30(18-24)34(39)40/h4-21H,22-23H2,1-3H3,(H,39,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507074 (CHEMBL4524345) Show SMILES COC(=O)c1ccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c(OC)c1 Show InChI InChI=1S/C34H28N2O5/c1-40-32-19-28(34(39)41-2)10-11-29(32)21-36-15-13-24-7-9-26(18-31(24)36)25-8-6-23-12-14-35(30(23)17-25)20-22-4-3-5-27(16-22)33(37)38/h3-19H,20-21H2,1-2H3,(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507066 (CHEMBL4458730) Show SMILES COc1cccc(CN(C(=O)OC(C)(C)C)c2cccc(c2)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C35H34N2O5/c1-35(2,3)42-34(40)37(23-25-9-6-13-31(19-25)41-4)30-12-7-10-27(20-30)28-15-14-26-16-17-36(32(26)21-28)22-24-8-5-11-29(18-24)33(38)39/h5-21H,22-23H2,1-4H3,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507067 (CHEMBL4518629) Show SMILES COC(=O)c1cccc(Cn2ccc3cc(F)c(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H25FN2O4/c1-40-33(39)27-7-3-5-22(15-27)20-36-13-11-25-16-29(34)28(18-31(25)36)24-9-8-23-10-12-35(30(23)17-24)19-21-4-2-6-26(14-21)32(37)38/h2-18H,19-20H2,1H3,(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507052 (CHEMBL4466565) Show SMILES COc1cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc(c1)C(O)=O Show InChI InChI=1S/C33H26N2O5/c1-40-29-15-22(14-28(16-29)33(38)39)20-35-12-10-24-6-8-26(18-31(24)35)25-7-5-23-9-11-34(30(23)17-25)19-21-3-2-4-27(13-21)32(36)37/h2-18H,19-20H2,1H3,(H,36,37)(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507065 (CHEMBL4464574) Show SMILES COc1cccc(CN(C)c2cccc(c2)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C31H28N2O3/c1-32(20-23-7-4-11-29(17-23)36-2)28-10-5-8-25(18-28)26-13-12-24-14-15-33(30(24)19-26)21-22-6-3-9-27(16-22)31(34)35/h3-19H,20-21H2,1-2H3,(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507047 (CHEMBL4466581) Show SMILES CC(C)(C)OC(=O)N1CCc2ccc(cc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C29H28N2O4/c1-29(2,3)35-28(34)31-14-12-21-8-10-23(17-26(21)31)22-9-7-20-11-13-30(25(20)16-22)18-19-5-4-6-24(15-19)27(32)33/h4-11,13,15-17H,12,14,18H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507053 (CHEMBL4571007) Show SMILES CC(=O)Nc1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H27N3O3/c1-22(37)34-30-7-3-5-24(17-30)21-36-15-13-26-9-11-28(19-32(26)36)27-10-8-25-12-14-35(31(25)18-27)20-23-4-2-6-29(16-23)33(38)39/h2-19H,20-21H2,1H3,(H,34,37)(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507049 (CHEMBL4546124) Show SMILES COC(=O)c1cc(F)cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H25FN2O4/c1-40-33(39)28-14-22(15-29(34)16-28)20-36-12-10-24-6-8-26(18-31(24)36)25-7-5-23-9-11-35(30(23)17-25)19-21-3-2-4-27(13-21)32(37)38/h2-18H,19-20H2,1H3,(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507060 (CHEMBL4475861) Show SMILES COC(=O)c1cccc(Cn2ncc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-5-22(15-27)20-35-30-17-25(10-11-28(30)18-33-35)24-9-8-23-12-13-34(29(23)16-24)19-21-4-2-6-26(14-21)31(36)37/h2-18H,19-20H2,1H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507058 (CHEMBL4575978) Show SMILES COc1cccc(Cn2ccc3ccc(cc23)-c2ccc3cn(Cc4cccc(c4)C(O)=O)nc3c2)c1 Show InChI InChI=1S/C31H25N3O3/c1-37-28-7-3-5-22(15-28)18-33-13-12-23-8-9-25(17-30(23)33)24-10-11-27-20-34(32-29(27)16-24)19-21-4-2-6-26(14-21)31(35)36/h2-17,20H,18-19H2,1H3,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507043 (CHEMBL4474469) Show SMILES COC(=O)c1cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc(c1)C(=O)OC Show InChI InChI=1S/C35H28N2O6/c1-42-34(40)29-15-23(16-30(17-29)35(41)43-2)21-37-13-11-25-7-9-27(19-32(25)37)26-8-6-24-10-12-36(31(24)18-26)20-22-4-3-5-28(14-22)33(38)39/h3-19H,20-21H2,1-2H3,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507072 (CHEMBL4535485) Show SMILES COc1cccc(Cn2ccc3ccc(cc23)-c2ccc3c(C)cn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C33H28N2O3/c1-22-19-35(21-23-5-3-7-28(15-23)33(36)37)32-18-27(11-12-30(22)32)26-10-9-25-13-14-34(31(25)17-26)20-24-6-4-8-29(16-24)38-2/h3-19H,20-21H2,1-2H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507055 (CHEMBL4445474) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C31H24N2O4S/c1-21-5-11-28(12-6-21)38(36,37)33-16-14-24-8-10-26(19-30(24)33)25-9-7-23-13-15-32(29(23)18-25)20-22-3-2-4-27(17-22)31(34)35/h2-19H,20H2,1H3,(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507054 (CHEMBL4454382) Show SMILES CC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)CC1 Show InChI InChI=1S/C35H37N3O4/c1-35(2,3)42-34(41)36-15-11-24(12-16-36)22-37-17-13-26-7-9-28(20-31(26)37)29-10-8-27-14-18-38(32(27)21-29)23-25-5-4-6-30(19-25)33(39)40/h4-10,13-14,17-21,24H,11-12,15-16,22-23H2,1-3H3,(H,39,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507045 (CHEMBL4444442) Show SMILES CC(C)(C)OC(=O)Nc1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C36H33N3O4/c1-36(2,3)43-35(42)37-31-9-5-7-25(19-31)23-39-17-15-27-11-13-29(21-33(27)39)28-12-10-26-14-16-38(32(26)20-28)22-24-6-4-8-30(18-24)34(40)41/h4-21H,22-23H2,1-3H3,(H,37,42)(H,40,41)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507059 (CHEMBL4437889) Show SMILES COc1cccc(CNc2cccc(c2)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C30H26N2O3/c1-35-28-10-3-5-21(16-28)19-31-27-9-4-7-24(17-27)25-12-11-23-13-14-32(29(23)18-25)20-22-6-2-8-26(15-22)30(33)34/h2-18,31H,19-20H2,1H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507070 (CHEMBL4458236) Show SMILES CN(C(=O)OC(C)(C)C)c1cccc(c1)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C28H28N2O4/c1-28(2,3)34-27(33)29(4)24-10-6-8-21(16-24)22-12-11-20-13-14-30(25(20)17-22)18-19-7-5-9-23(15-19)26(31)32/h5-17H,18H2,1-4H3,(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507044 (CHEMBL4457770) Show SMILES OC(=O)c1cc(F)cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(=O)OC(F)(F)F)c3c2)c1 Show InChI InChI=1S/C33H22F4N2O4/c34-28-14-21(13-27(15-28)31(40)41)19-39-11-9-23-5-7-25(17-30(23)39)24-6-4-22-8-10-38(29(22)16-24)18-20-2-1-3-26(12-20)32(42)43-33(35,36)37/h1-17H,18-19H2,(H,40,41)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507069 (CHEMBL4440451) Show SMILES CC(C)(C)OC(=O)n1ccc2ccc(cc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C29H26N2O4/c1-29(2,3)35-28(34)31-14-12-21-8-10-23(17-26(21)31)22-9-7-20-11-13-30(25(20)16-22)18-19-5-4-6-24(15-19)27(32)33/h4-17H,18H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507048 (CHEMBL4468550) Show SMILES Cn1ccc2cc(F)c(cc12)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C25H18F2N2O2/c1-28-6-4-18-11-22(27)21(13-23(18)28)17-3-2-16-5-7-29(24(16)12-17)14-15-8-19(25(30)31)10-20(26)9-15/h2-13H,14H2,1H3,(H,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507071 (CHEMBL4442212) Show SMILES Cn1ccc2ccc(cc12)-c1ccc2cnn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C24H18FN3O2/c1-27-7-6-16-2-3-17(11-22(16)27)18-4-5-19-13-26-28(23(19)12-18)14-15-8-20(24(29)30)10-21(25)9-15/h2-13H,14H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507050 (CHEMBL4465870) Show SMILES OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(OC(F)(F)F)c4)c3c2)c1 Show InChI InChI=1S/C32H23F3N2O3/c33-32(34,35)40-28-6-2-4-22(16-28)20-37-14-12-24-8-10-26(18-30(24)37)25-9-7-23-11-13-36(29(23)17-25)19-21-3-1-5-27(15-21)31(38)39/h1-18H,19-20H2,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507046 (CHEMBL4548603) Show SMILES Cn1ncc2ccc(cc12)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C24H18FN3O2/c1-27-22-11-17(4-5-19(22)13-26-27)18-3-2-16-6-7-28(23(16)12-18)14-15-8-20(24(29)30)10-21(25)9-15/h2-13H,14H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507062 (CHEMBL4552770) Show SMILES OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)[N+]([O-])=O)c3c2)c1 Show InChI InChI=1S/C31H23N3O4/c35-31(36)27-5-1-3-21(15-27)19-32-13-11-23-7-9-25(17-29(23)32)26-10-8-24-12-14-33(30(24)18-26)20-22-4-2-6-28(16-22)34(37)38/h1-18H,19-20H2,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507061 (CHEMBL4567020) Show SMILES Cn1ccc2ccc(cc12)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C25H19FN2O2/c1-27-8-6-17-2-4-19(13-23(17)27)20-5-3-18-7-9-28(24(18)14-20)15-16-10-21(25(29)30)12-22(26)11-16/h2-14H,15H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507063 (CHEMBL4459522) Show SMILES Nc1ccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc1 Show InChI InChI=1S/C31H25N3O2/c32-28-10-4-21(5-11-28)19-33-14-12-23-6-8-25(17-29(23)33)26-9-7-24-13-15-34(30(24)18-26)20-22-2-1-3-27(16-22)31(35)36/h1-18H,19-20,32H2,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507042 (CHEMBL4454313) Show SMILES COC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3cnn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-4-21(15-27)19-34-13-12-23-8-9-24(16-29(23)34)25-10-11-28-18-33-35(30(28)17-25)20-22-5-2-6-26(14-22)31(36)37/h2-18H,19-20H2,1H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507041 (CHEMBL4513887) Show SMILES COc1cccc(CN2CCc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H28N2O3/c1-37-29-7-3-5-23(17-29)21-34-15-13-25-9-11-27(19-31(25)34)26-10-8-24-12-14-33(30(24)18-26)20-22-4-2-6-28(16-22)32(35)36/h2-12,14,16-19H,13,15,20-21H2,1H3,(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507073 (CHEMBL4592061) Show SMILES Cc1cn(C(=O)OC(C)(C)C)c2cc(ccc12)-c1ccc2ccn(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C30H28N2O4/c1-19-17-32(29(35)36-30(2,3)4)27-16-23(10-11-25(19)27)22-9-8-21-12-13-31(26(21)15-22)18-20-6-5-7-24(14-20)28(33)34/h5-17H,18H2,1-4H3,(H,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507051 (CHEMBL4591215) Show SMILES COc1cccc(Cn2ccc3cc(F)c(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C32H25FN2O3/c1-38-27-7-3-5-22(15-27)20-35-13-11-25-16-29(33)28(18-31(25)35)24-9-8-23-10-12-34(30(23)17-24)19-21-4-2-6-26(14-21)32(36)37/h2-18H,19-20H2,1H3,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507056 (CHEMBL4456878) Show SMILES Cn1cc2ccc(cc2n1)-c1ccc2ccn(Cc3cc(F)cc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C24H18FN3O2/c1-27-14-19-5-4-17(11-22(19)26-27)18-3-2-16-6-7-28(23(16)12-18)13-15-8-20(24(29)30)10-21(25)9-15/h2-12,14H,13H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507057 (CHEMBL4473941) Show SMILES Cn1ccc2ccc(cc12)-c1ccc2CCN(Cc3cccc(c3)C(O)=O)c2c1 Show InChI InChI=1S/C25H22N2O2/c1-26-11-9-18-5-7-20(14-23(18)26)21-8-6-19-10-12-27(24(19)15-21)16-17-3-2-4-22(13-17)25(28)29/h2-9,11,13-15H,10,12,16H2,1H3,(H,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507064 (CHEMBL4531799) Show SMILES Cn1ncc2ccc(cc12)-c1ccc2cnn(Cc3ccc(F)c(c3)C(O)=O)c2c1 Show InChI InChI=1S/C23H17FN4O2/c1-27-21-9-15(3-5-17(21)11-25-27)16-4-6-18-12-26-28(22(18)10-16)13-14-2-7-20(24)19(8-14)23(29)30/h2-12H,13H2,1H3,(H,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence que...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...				J Med Chem 41: 10-23 (1998) Article DOI: 10.1021/jm9705723 BindingDB Entry DOI: 10.7270/Q2VX0FM4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant				J Med Chem 38: 4106-14 (1995) BindingDB Entry DOI: 10.7270/Q25B01HR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University School of Medicine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...				J Med Chem 41: 10-23 (1998) Article DOI: 10.1021/jm9705723 BindingDB Entry DOI: 10.7270/Q2VX0FM4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50031364 (4-Amino-7-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetr...) Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12 Show InChI InChI=1S/C12H14FN5O4/c13-7-8(20)5(2-19)22-12(7)18-1-4(10(15)21)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,21)(H2,14,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant				J Med Chem 38: 4106-14 (1995) BindingDB Entry DOI: 10.7270/Q25B01HR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50369541 (CHEMBL608901) Show SMILES CCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H28N6O5/c1-3-4-5-6-7-13(28)23-17-11-8-26(20-16(30)15(29)12(9-27)31-20)19-14(11)18(21-10-22-19)25(2)24-17/h8,10,12,15-16,20,27,29-30H,3-7,9H2,1-2H3,(H,23,24,28)/t12-,15-,16-,20?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1				J Med Chem 43: 2457-63 (2000) BindingDB Entry DOI: 10.7270/Q22N52Z2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50422306 (Phosphate Salt Of Tricyclic Nucleoside | TRICIRIBI...) Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ncnc1c23 |r| Show InChI InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1				J Med Chem 43: 2457-63 (2000) BindingDB Entry DOI: 10.7270/Q22N52Z2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50369528 (NSC-154020 | TRICIRIBINE) Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 |r| Show InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1				J Med Chem 43: 2457-63 (2000) BindingDB Entry DOI: 10.7270/Q22N52Z2
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50369528 (NSC-154020 | TRICIRIBINE) Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 |r| Show InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)				J Med Chem 43: 2438-48 (2000) BindingDB Entry DOI: 10.7270/Q26D5TNZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50422306 (Phosphate Salt Of Tricyclic Nucleoside | TRICIRIBI...) Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ncnc1c23 |r| Show InChI InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)				J Med Chem 43: 2438-48 (2000) BindingDB Entry DOI: 10.7270/Q26D5TNZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50031365 (4-Amino-7-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetr...) Show SMILES NC(=S)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12 Show InChI InChI=1S/C12H14FN5O3S/c13-7-8(20)5(2-19)21-12(7)18-1-4(10(15)22)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,22)(H2,14,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant				J Med Chem 38: 4106-14 (1995) BindingDB Entry DOI: 10.7270/Q25B01HR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50369542 (CHEMBL611850) Show SMILES CCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H30N6O5/c1-3-4-5-6-7-8-14(29)24-18-12-9-27(21-17(31)16(30)13(10-28)32-21)20-15(12)19(22-11-23-20)26(2)25-18/h9,11,13,16-17,21,28,30-31H,3-8,10H2,1-2H3,(H,24,25,29)/t13-,16-,17-,21?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Antiviral activity was evaluated by Reverse transcriptase activity in cells acutely infected with HIV-1				J Med Chem 43: 2457-63 (2000) BindingDB Entry DOI: 10.7270/Q22N52Z2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507043 (CHEMBL4474469) Show SMILES COC(=O)c1cc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)cc(c1)C(=O)OC Show InChI InChI=1S/C35H28N2O6/c1-42-34(40)29-15-23(16-30(17-29)35(41)43-2)21-37-13-11-25-7-9-27(19-32(25)37)26-8-6-24-10-12-36(31(24)18-26)20-22-4-3-5-28(14-22)33(38)39/h3-19H,20-21H2,1-2H3,(H,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Inhibition of HIV1 gp41-induced cell-cell fusion between viral protein expressing human HL2/3 cells and TZM-bl target cells preincubated overnight wi...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus 1)	BDBM50507068 (CHEMBL4467904) Show SMILES CC(C)(C)OC(=O)c1cccc(Cn2ccc3ccc(cc23)-c2ccc3ccn(Cc4cccc(c4)C(O)=O)c3c2)c1 Show InChI InChI=1S/C36H32N2O4/c1-36(2,3)42-35(41)31-9-5-7-25(19-31)23-38-17-15-27-11-13-29(21-33(27)38)28-12-10-26-14-16-37(32(26)20-28)22-24-6-4-8-30(18-24)34(39)40/h4-21H,22-23H2,1-3H3,(H,39,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Touro University-California Curated by ChEMBL					Assay Description Inhibition of HIV1 gp41-induced cell-cell fusion between viral protein expressing human HL2/3 cells and TZM-bl target cells preincubated overnight wi...				Eur J Med Chem 161: 533-542 (2019) Article DOI: 10.1016/j.ejmech.2018.10.048 BindingDB Entry DOI: 10.7270/Q2V40ZH2
					More data for this Ligand-Target Pair

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