Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'faulkner' and Initial = 'dj'   

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
Phospholipase A2 (Apis mellifera)	BDBM50250399 (5-Hydroxy-4-{(R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,...) Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O |r,c:4,t:17,25| Show InChI InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of bee venom PLA2				J Nat Prod 55: 1701-17 (1992) Article DOI: 10.1021/np50090a001 BindingDB Entry DOI: 10.7270/Q2H70JMC
					More data for this Ligand-Target Pair
Phospholipase A2 (Apis mellifera)	BDBM50242184 (Scalaradial) Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9| Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1	PDB MMDB KEGG 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
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of bee venom PLA2				J Nat Prod 55: 1701-17 (1992) Article DOI: 10.1021/np50090a001 BindingDB Entry DOI: 10.7270/Q2H70JMC
					More data for this Ligand-Target Pair
Phospholipase A2 (Apis mellifera)	BDBM50478548 (CHEMBL478091) Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCCC2(C)C |r,t:9| Show InChI InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)18(22)9-12-24(4)19-8-7-16(14-26)17(15-27)25(19,5)21(28)13-20(23)24/h7,14-15,17-21,28H,6,8-13H2,1-5H3/t17-,18-,19-,20+,21+,23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of bee venom PLA2				J Nat Prod 55: 1701-17 (1992) Article DOI: 10.1021/np50090a001 BindingDB Entry DOI: 10.7270/Q2H70JMC
					More data for this Ligand-Target Pair
Phospholipase A2 (Apis mellifera)	BDBM50478547 (Luffariellolide) Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O |c:9,t:22| Show InChI InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of bee venom PLA2				J Nat Prod 55: 1701-17 (1992) Article DOI: 10.1021/np50090a001 BindingDB Entry DOI: 10.7270/Q2H70JMC
					More data for this Ligand-Target Pair
Phospholipase A2 (Apis mellifera)	BDBM50478546 ((4E,6E)-Dehydromanoalide | CHEMBL482592) Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(C=O)=C/C=C/C1=CC(=O)O[C@H]1O |r,c:4,t:23| Show InChI InChI=1S/C25H34O4/c1-18(13-14-22-19(2)9-7-15-25(22,3)4)8-5-10-20(17-26)11-6-12-21-16-23(27)29-24(21)28/h6,8,11-12,16-17,24,28H,5,7,9-10,13-15H2,1-4H3/b12-6+,18-8+,20-11+/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of bee venom PLA2				J Nat Prod 55: 1701-17 (1992) Article DOI: 10.1021/np50090a001 BindingDB Entry DOI: 10.7270/Q2H70JMC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077360 (3,10-Dihydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,1...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-11-23(36-3)19(32)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)10-15(13)26(24)29/h4-12,30-32H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of HIV-1 replication				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077357 (14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(OC)c(OC)cc4c13)c(=O)oc1cc(OS([O-])(=O)=O)c(OC)cc21 Show InChI InChI=1S/C29H23NO11S/c1-36-19-6-5-15(9-18(19)31)25-26-17-12-23(39-4)24(41-42(33,34)35)13-20(17)40-29(32)28(26)30-8-7-14-10-21(37-2)22(38-3)11-16(14)27(25)30/h5-13,31H,1-4H3,(H,33,34,35)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of HIV-1 replication				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077362 (14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-...) Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)cc3CCn2c2c1c1cc(OC)c(OS([O-])(=O)=O)cc1oc2=O Show InChI InChI=1S/C29H25NO11S/c1-36-19-6-5-15(9-18(19)31)25-26-17-12-23(39-4)24(41-42(33,34)35)13-20(17)40-29(32)28(26)30-8-7-14-10-21(37-2)22(38-3)11-16(14)27(25)30/h5-6,9-13,31H,7-8H2,1-4H3,(H,33,34,35)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of HIV-1 replication				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50024210 (1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...) Show SMILES NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin) by fluorimetric assay				J Nat Prod 65: 628-9 (2002) BindingDB Entry DOI: 10.7270/Q2B27V1V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077357 (14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(OC)c(OC)cc4c13)c(=O)oc1cc(OS([O-])(=O)=O)c(OC)cc21 Show InChI InChI=1S/C29H23NO11S/c1-36-19-6-5-15(9-18(19)31)25-26-17-12-23(39-4)24(41-42(33,34)35)13-20(17)40-29(32)28(26)30-8-7-14-10-21(37-2)22(38-3)11-16(14)27(25)30/h5-13,31H,1-4H3,(H,33,34,35)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity agaginst integrase as yield of terminal cleavage products				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077358 (3-Hydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,9,10,1...) Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(OC)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O Show InChI InChI=1S/C30H27NO9/c1-35-20-7-6-14(10-18(20)32)24-25-17-12-22(36-2)19(33)13-21(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-7,10-13,32-33H,8-9H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of HIV-1 replication				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077360 (3,10-Dihydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,1...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-11-23(36-3)19(32)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)10-15(13)26(24)29/h4-12,30-32H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity agaginst integrase as yield of terminal cleavage products				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077361 (3-Hydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,9,10,1...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 Show InChI InChI=1S/C30H25NO9/c1-35-20-7-6-14(10-18(20)32)24-25-17-12-22(36-2)19(33)13-21(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity agaginst integrase as yield of terminal cleavage products				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077361 (3-Hydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,9,10,1...) Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 Show InChI InChI=1S/C30H25NO9/c1-35-20-7-6-14(10-18(20)32)24-25-17-12-22(36-2)19(33)13-21(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of HIV-1 replication				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077359 (7-Hydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,9,10,1...) Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(OC)c3CC(O)n2c2c1c1cc(OC)c(OS([O-])(=O)=O)cc1oc2=O Show InChI InChI=1S/C30H27NO13S/c1-38-18-7-6-13(8-17(18)32)24-25-16-10-20(39-2)21(44-45(35,36)37)12-19(16)43-30(34)27(25)31-23(33)11-15-14(26(24)31)9-22(40-3)29(42-5)28(15)41-4/h6-10,12,23,32-33H,11H2,1-5H3,(H,35,36,37)/p-1	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
Institute of Chemical Technology Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of HIV-1 replication				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50260288 (CHEMBL495256 | Haploscleridamine) Show SMILES C(C1NCCc2c1[nH]c1ccccc21)c1cnc[nH]1 Show InChI InChI=1S/C15H16N4/c1-2-4-13-11(3-1)12-5-6-17-14(15(12)19-13)7-10-8-16-9-18-10/h1-4,8-9,14,17,19H,5-7H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin) by fluorimetric assay				J Nat Prod 65: 628-9 (2002) BindingDB Entry DOI: 10.7270/Q2B27V1V
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077358 (3-Hydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,9,10,1...) Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(OC)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O Show InChI InChI=1S/C30H27NO9/c1-35-20-7-6-14(10-18(20)32)24-25-17-12-22(36-2)19(33)13-21(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-7,10-13,32-33H,8-9H2,1-5H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity agaginst integrase as yield of terminal cleavage products				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077362 (14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-...) Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)cc3CCn2c2c1c1cc(OC)c(OS([O-])(=O)=O)cc1oc2=O Show InChI InChI=1S/C29H25NO11S/c1-36-19-6-5-15(9-18(19)31)25-26-17-12-23(39-4)24(41-42(33,34)35)13-20(17)40-29(32)28(26)30-8-7-14-10-21(37-2)22(38-3)11-16(14)27(25)30/h5-6,9-13,31H,7-8H2,1-4H3,(H,33,34,35)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity agaginst integrase as yield of terminal cleavage products				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50077359 (7-Hydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,9,10,1...) Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(OC)c3CC(O)n2c2c1c1cc(OC)c(OS([O-])(=O)=O)cc1oc2=O Show InChI InChI=1S/C30H27NO13S/c1-38-18-7-6-13(8-17(18)32)24-25-16-10-20(39-2)21(44-45(35,36)37)12-19(16)43-30(34)27(25)31-23(33)11-15-14(26(24)31)9-22(40-3)29(42-5)28(15)41-4/h6-10,12,23,32-33H,11H2,1-5H3,(H,35,36,37)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity agaginst integrase as yield of terminal cleavage products				J Med Chem 42: 1901-7 (1999) Article DOI: 10.1021/jm9806650 BindingDB Entry DOI: 10.7270/Q2PG1QWC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478540 (Diplyne C sulfate) Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCCC\C=C\Br Show InChI InChI=1S/C16H23BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,8,10,15H2,(H,19,20,21)/b14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478541 (CHEMBL468667) Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCC#C\C=C\Br Show InChI InChI=1S/C16H19BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,15H2,(H,19,20,21)/b14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478539 (CHEMBL468248) Show SMILES OS(=O)(=O)OCCC#CC#CCCCCC#CC#C\C=C\Br Show InChI InChI=1S/C16H15BrO4S/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-22(18,19)20/h13,15H,1-4,14,16H2,(H,18,19,20)/b15-13+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478543 (Diplyne C) Show SMILES OCC(O)C#CC#CCCCCCCCC\C=C\Br Show InChI InChI=1S/C16H23BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,8,10,15H2/b14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478542 (DIPLYNE A) Show SMILES OCC(O)C#CC#CCCCCCCC#C\C=C\Br Show InChI InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478538 (Diplyne B) Show SMILES OCC(O)C#CC#CCCCCCCC#C\C=C/Br Show InChI InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478544 (Diplyne E) Show SMILES OCC(O)C#CC#CCCCC\C=C\C#C\C=C\Br Show InChI InChI=1S/C16H17BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h4,6,12,14,16,18-19H,1-3,5,15H2/b6-4+,14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478537 (Diplyne D) Show SMILES OCC(O)C#CC#CCCCCC#CC#C\C=C\Br Show InChI InChI=1S/C16H15BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-3,5,15H2/b14-12+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				J Nat Prod 66: 667-70 (2003) Article DOI: 10.1021/np020544+ BindingDB Entry DOI: 10.7270/Q2RR2212
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478906 (Dolastatin 3) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)c1csc(CNC(=O)c3csc(n3)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC2=O)n1)C(C)C |r| Show InChI InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)33-16(7-8-21(30)38)28-35-18(13-45-28)24(39)31-11-22-32-19(12-44-22)26(41)36-23(15(3)4)29(43)37-9-5-6-20(37)27(42)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,40)(H,34,42)(H,36,41)/t16-,17-,20-,23-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Nat Prod 63: 279-82 (2000) Article DOI: 10.1021/np990353f BindingDB Entry DOI: 10.7270/Q2DR2Z99
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50478906 (Dolastatin 3) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](NC(=O)c1csc(CNC(=O)c3csc(n3)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC2=O)n1)C(C)C |r| Show InChI InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)33-16(7-8-21(30)38)28-35-18(13-45-28)24(39)31-11-22-32-19(12-44-22)26(41)36-23(15(3)4)29(43)37-9-5-6-20(37)27(42)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,40)(H,34,42)(H,36,41)/t16-,17-,20-,23-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase long terminal repeat cleavage activity				J Nat Prod 63: 279-82 (2000) Article DOI: 10.1021/np990353f BindingDB Entry DOI: 10.7270/Q2DR2Z99
					More data for this Ligand-Target Pair