Compile Data Set for Download or QSAR

Found 493 hits with Last Name = 'zhao' and Initial = 'xz'   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50260121 (CHEMBL4068949) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(O)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H66FN8O13P/c1-28(2)22-36(51-46(63)39-18-13-21-55(39)30(4)57)43(60)50-37(44(61)52-38(26-56)45(62)53-41(42(48)59)29(3)68-69(64,65)66)23-31-25-49-27-54(31)20-10-8-6-5-7-9-16-34-35(47)17-12-19-40(34)67-33-15-11-14-32(58)24-33/h11-12,14-15,17,19,24-25,27-29,36-39,41,56,58H,5-10,13,16,18,20-23,26H2,1-4H3,(H2,48,59)(H,50,60)(H,51,63)(H,52,61)(H,53,62)(H2,64,65,66)/t29-,36+,37+,38+,39+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50260122 (CHEMBL4092848) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCO)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C42H67N8O12P/c1-27(2)22-33(46-42(58)36-13-11-20-50(36)29(4)53)39(55)45-34(40(56)47-35(25-52)41(57)48-37(38(43)54)28(3)62-63(59,60)61)23-32-24-44-26-49(32)19-10-8-6-5-7-9-12-30-14-16-31(17-15-30)18-21-51/h14-17,24,26-28,33-37,51-52H,5-13,18-23,25H2,1-4H3,(H2,43,54)(H,45,55)(H,46,58)(H,47,56)(H,48,57)(H2,59,60,61)/t28-,33+,34+,35+,36+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194933 (CHEMBL3956625) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H66FN8O12P/c1-29(2)24-36(51-46(62)39-20-15-23-55(39)31(4)57)43(59)50-37(44(60)52-38(27-56)45(61)53-41(42(48)58)30(3)67-68(63,64)65)25-32-26-49-28-54(32)22-13-8-6-5-7-12-18-34-35(47)19-14-21-40(34)66-33-16-10-9-11-17-33/h9-11,14,16-17,19,21,26,28-30,36-39,41,56H,5-8,12-13,15,18,20,22-25,27H2,1-4H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H2,63,64,65)/t30-,36+,37+,38+,39+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020284 (CHEMBL3288833) Show SMILES COC(=O)[C@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 |r| Show InChI InChI=1S/C25H20F2N4O5/c1-36-25(34)20(14-6-3-2-4-7-14)30-21-17-8-5-11-28-22(17)31(35)24(33)19(21)23(32)29-13-15-9-10-16(26)12-18(15)27/h2-12,20,30,35H,13H2,1H3,(H,29,32)/t20-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020294 (CHEMBL3288834) Show SMILES COC(=O)[C@H](CO)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O6/c1-32-20(30)14(9-27)25-16-12-3-2-6-23-17(12)26(31)19(29)15(16)18(28)24-8-10-4-5-11(21)7-13(10)22/h2-7,14,25,27,31H,8-9H2,1H3,(H,24,28)/t14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50260124 (CHEMBL4065187) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCOCc2ccccc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C49H73N8O12P/c1-33(2)27-40(53-49(64)43-18-14-25-57(43)35(4)59)46(61)52-41(47(62)54-42(30-58)48(63)55-44(45(50)60)34(3)69-70(65,66)67)28-39-29-51-32-56(39)24-13-8-6-5-7-10-15-36-19-21-37(22-20-36)23-26-68-31-38-16-11-9-12-17-38/h9,11-12,16-17,19-22,29,32-34,40-44,58H,5-8,10,13-15,18,23-28,30-31H2,1-4H3,(H2,50,60)(H,52,61)(H,53,64)(H,54,62)(H,55,63)(H2,65,66,67)/t34-,40+,41+,42+,43+,44+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020278 (CHEMBL3288827) Show SMILES OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H16F2N4O4/c19-11-4-3-10(13(20)8-11)9-23-17(26)14-15(21-6-7-25)12-2-1-5-22-16(12)24(28)18(14)27/h1-5,8,21,25,28H,6-7,9H2,(H,23,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020283 (CHEMBL3288832) Show SMILES COC(=O)[C@@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 |r| Show InChI InChI=1S/C25H20F2N4O5/c1-36-25(34)20(14-6-3-2-4-7-14)30-21-17-8-5-11-28-22(17)31(35)24(33)19(21)23(32)29-13-15-9-10-16(26)12-18(15)27/h2-12,20,30,35H,13H2,1H3,(H,29,32)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50260123 (CHEMBL4080819) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(OCc2ccccc2)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C53H72FN8O13P/c1-34(2)27-43(58-53(69)46-23-16-26-62(46)36(4)64)50(66)57-44(51(67)59-45(31-63)52(68)60-48(49(55)65)35(3)75-76(70,71)72)28-38-30-56-33-61(38)25-13-8-6-5-7-12-21-41-42(54)22-15-24-47(41)74-40-20-14-19-39(29-40)73-32-37-17-10-9-11-18-37/h9-11,14-15,17-20,22,24,29-30,33-35,43-46,48,63H,5-8,12-13,16,21,23,25-28,31-32H2,1-4H3,(H2,55,65)(H,57,66)(H,58,69)(H,59,67)(H,60,68)(H2,70,71,72)/t35-,43+,44+,45+,46+,48+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020307 (CHEMBL3288835) Show SMILES COC(=O)[C@@H](CO)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O6/c1-32-20(30)14(9-27)25-16-12-3-2-6-23-17(12)26(31)19(29)15(16)18(28)24-8-10-4-5-11(21)7-13(10)22/h2-7,14,25,27,31H,8-9H2,1H3,(H,24,28)/t14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496325 (CHEMBL3125979) Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)c(Cl)c2)c1=O Show InChI InChI=1S/C16H11ClFN3O3/c17-12-6-9(3-4-13(12)18)8-20-15(22)11-7-10-2-1-5-19-14(10)21(24)16(11)23/h1-7,24H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020276 (CHEMBL3288825) Show SMILES CC(C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C19H18F2N4O3/c1-10(2)24-16-13-4-3-7-22-17(13)25(28)19(27)15(16)18(26)23-9-11-5-6-12(20)8-14(11)21/h3-8,10,24,28H,9H2,1-2H3,(H,23,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020281 (CHEMBL3288830) Show SMILES COC(=O)[C@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O5/c1-10(20(29)31-2)25-16-13-4-3-7-23-17(13)26(30)19(28)15(16)18(27)24-9-11-5-6-12(21)8-14(11)22/h3-8,10,25,30H,9H2,1-2H3,(H,24,27)/t10-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496313 (CHEMBL3125980) Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C16H11F2N3O3/c17-12-4-3-9(6-13(12)18)8-20-15(22)11-7-10-2-1-5-19-14(10)21(24)16(11)23/h1-7,24H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020259 (CHEMBL3288817) Show SMILES On1c2ncccc2c(Nc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C22H16F2N4O3/c23-14-9-8-13(17(24)11-14)12-26-21(29)18-19(27-15-5-2-1-3-6-15)16-7-4-10-25-20(16)28(31)22(18)30/h1-11,27,31H,12H2,(H,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020309 (CHEMBL3288837) Show SMILES Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,25H,7,19H2,(H,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020280 (CHEMBL3288829) Show SMILES COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020267 (CHEMBL3288824) Show SMILES CCCCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C21H22F2N4O3/c1-2-3-4-9-24-18-15-6-5-10-25-19(15)27(30)21(29)17(18)20(28)26-12-13-7-8-14(22)11-16(13)23/h5-8,10-11,24,30H,2-4,9,12H2,1H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human N-terminal myc-tagged PLK1 polo-box domain (365 to 653 residues) expressed in HEK293T cells...				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020279 (CHEMBL3288828) Show SMILES CC(=O)OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C20H18F2N4O5/c1-11(27)31-8-7-23-17-14-3-2-6-24-18(14)26(30)20(29)16(17)19(28)25-10-12-4-5-13(21)9-15(12)22/h2-6,9,23,30H,7-8,10H2,1H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496319 (CHEMBL3125970) Show SMILES Oc1c(C(=O)NCc2ccc(F)c(Cl)c2)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H11ClFN3O4/c17-10-6-8(3-4-11(10)18)7-20-15(23)12-13(22)9-2-1-5-19-14(9)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020260 (CHEMBL3288818) Show SMILES CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C17H14F2N4O3/c1-20-14-11-3-2-6-21-15(11)23(26)17(25)13(14)16(24)22-8-9-4-5-10(18)7-12(9)19/h2-7,20,26H,8H2,1H3,(H,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020282 (CHEMBL3288831) Show SMILES COC(=O)[C@@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O5/c1-10(20(29)31-2)25-16-13-4-3-7-23-17(13)26(30)19(28)15(16)18(27)24-9-11-5-6-12(21)8-14(11)22/h3-8,10,25,30H,9H2,1-2H3,(H,24,27)/t10-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194944 (CHEMBL3935387) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C47H69N8O12P/c1-31(2)25-37(51-47(62)40-21-16-24-55(40)33(4)57)44(59)50-38(45(60)52-39(28-56)46(61)53-42(43(48)58)32(3)67-68(63,64)65)26-36-27-49-30-54(36)23-15-8-6-5-7-12-19-35-20-13-14-22-41(35)66-29-34-17-10-9-11-18-34/h9-11,13-14,17-18,20,22,27,30-32,37-40,42,56H,5-8,12,15-16,19,21,23-26,28-29H2,1-4H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H2,63,64,65)/t32-,37+,38+,39+,40+,42+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human full length N-terminal myc-tagged PLK1 expressed in HEK293T cells after 1 hr by ELISA				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020277 (CHEMBL3288826) Show SMILES NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H17F2N5O3/c19-11-4-3-10(13(20)8-11)9-24-17(26)14-15(22-7-5-21)12-2-1-6-23-16(12)25(28)18(14)27/h1-4,6,8,22,28H,5,7,9,21H2,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496315 (CHEMBL3125971) Show SMILES Oc1c(C(=O)NCc2ccc(F)c(F)c2)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H11F2N3O4/c17-10-4-3-8(6-11(10)18)7-20-15(23)12-13(22)9-2-1-5-19-14(9)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496317 (CHEMBL3125981) Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C16H11F2N3O3/c17-11-4-3-10(13(18)7-11)8-20-15(22)12-6-9-2-1-5-19-14(9)21(24)16(12)23/h1-7,24H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194942 (CHEMBL3954114) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1-c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H67N8O11P/c1-30(2)25-37(50-46(61)40-22-16-24-54(40)32(4)56)43(58)49-38(44(59)51-39(28-55)45(60)52-41(42(47)57)31(3)65-66(62,63)64)26-35-27-48-29-53(35)23-15-8-6-5-7-10-17-34-20-13-14-21-36(34)33-18-11-9-12-19-33/h9,11-14,18-21,27,29-31,37-41,55H,5-8,10,15-17,22-26,28H2,1-4H3,(H2,47,57)(H,49,58)(H,50,61)(H,51,59)(H,52,60)(H2,62,63,64)/t31-,37+,38+,39+,40+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human full length N-terminal myc-tagged PLK1 expressed in HEK293T cells after 1 hr by ELISA				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486150 (CHEMBL2206768) Show SMILES Oc1cc(c2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H18ClFN2O6S/c20-13-7-11(1-2-14(13)21)9-22-10-12-16(8-15(24)18(25)17(12)19(22)26)30(27,28)23-3-5-29-6-4-23/h1-2,7-8,24-25H,3-6,9-10H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020265 (CHEMBL3288822) Show SMILES On1c2ncccc2c(NCCc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-8-16(19(26)13-17)14-29-23(31)20-21(27-12-10-15-5-2-1-3-6-15)18-7-4-11-28-22(18)30(33)24(20)32/h1-9,11,13,27,33H,10,12,14H2,(H,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194940 (CHEMBL3985321) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H67N8O12P/c1-30(2)25-36(50-46(61)39-21-16-24-54(39)32(4)56)43(58)49-37(44(59)51-38(28-55)45(60)52-41(42(47)57)31(3)66-67(62,63)64)26-34-27-48-29-53(34)23-15-8-6-5-7-10-17-33-18-13-14-22-40(33)65-35-19-11-9-12-20-35/h9,11-14,18-20,22,27,29-31,36-39,41,55H,5-8,10,15-17,21,23-26,28H2,1-4H3,(H2,47,57)(H,49,58)(H,50,61)(H,51,59)(H,52,60)(H2,62,63,64)/t31-,36+,37+,38+,39+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human full length N-terminal myc-tagged PLK1 expressed in HEK293T cells after 1 hr by ELISA				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486153 (CHEMBL2206761) Show SMILES CCN(CC)S(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C19H20ClFN2O5S/c1-3-23(4-2)29(27,28)16-8-15(24)18(25)17-12(16)10-22(19(17)26)9-11-5-6-14(21)13(20)7-11/h5-8,24-25H,3-4,9-10H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496318 (CHEMBL3125972) Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H11F2N3O4/c17-9-4-3-8(11(18)6-9)7-20-15(23)12-13(22)10-2-1-5-19-14(10)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486149 (CHEMBL2206770) Show SMILES CN(CC(O)=O)S(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C18H16ClFN2O7S/c1-21(8-15(24)25)30(28,29)14-5-13(23)17(26)16-10(14)7-22(18(16)27)6-9-2-3-12(20)11(19)4-9/h2-5,23,26H,6-8H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194933 (CHEMBL3956625) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H66FN8O12P/c1-29(2)24-36(51-46(62)39-20-15-23-55(39)31(4)57)43(59)50-37(44(60)52-38(27-56)45(61)53-41(42(48)58)30(3)67-68(63,64)65)25-32-26-49-28-54(32)22-13-8-6-5-7-12-18-34-35(47)19-14-21-40(34)66-33-16-10-9-11-17-33/h9-11,14,16-17,19,21,26,28-30,36-39,41,56H,5-8,12-13,15,18,20,22-25,27H2,1-4H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H2,63,64,65)/t30-,36+,37+,38+,39+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human full length N-terminal myc-tagged PLK1 expressed in HEK293T cells after 1 hr by ELISA				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [1148-1435] (Human immunodeficiency virus type 1)	BDBM86654 (Bicyclic hydroxy-1H-pyrrolopyridine-trione, 1) Show SMILES Cc1nnc(o1)C(=O)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H20FN5O5/c1-10-24-25-17(31-10)15(28)20(2,3)19-23-13(14(27)18(30)26(19)4)16(29)22-9-11-5-7-12(21)8-6-11/h5-8,27H,9H2,1-4H3,(H,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The compound were evaluated in biochemical IN (integrase) assay that measure inhibitory potency (IC50 values)against both the 3'-processing(3'...				Chem Biol Drug Des 79: 157-65 (2012) Article DOI: 10.1111/j.1747-0285.2011.01270.x BindingDB Entry DOI: 10.7270/Q29K48TV
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 30 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020263 (CHEMBL3288820) Show SMILES On1c2ncccc2c(N2CCOCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486160 (CHEMBL2206769) Show SMILES OC(=O)CNS(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C17H14ClFN2O7S/c18-10-3-8(1-2-11(10)19)6-21-7-9-13(29(27,28)20-5-14(23)24)4-12(22)16(25)15(9)17(21)26/h1-4,20,22,25H,5-7H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020262 (CHEMBL3288819) Show SMILES CN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194936 (CHEMBL3916818) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C/c1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C45H63FN9O13P/c1-28(2)22-35(51-45(62)38-17-13-20-55(38)30(4)57)42(59)50-36(43(60)52-37(26-56)44(61)53-40(41(47)58)29(3)68-69(63,64)65)23-31-24-48-27-54(31)19-10-5-6-11-21-66-49-25-33-34(46)16-12-18-39(33)67-32-14-8-7-9-15-32/h7-9,12,14-16,18,24-25,27-29,35-38,40,56H,5-6,10-11,13,17,19-23,26H2,1-4H3,(H2,47,58)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H2,63,64,65)/b49-25-/t29-,35+,36+,37+,38+,40+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human N-terminal myc-tagged PLK1 polo-box domain (365 to 653 residues) expressed in HEK293T cells...				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194929 (CHEMBL3953093) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1cccn1-c1nccc(n1)-c1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C45H63N12O12PS/c1-28(2)22-34(51-44(64)37-13-10-18-56(37)30(4)59)41(61)50-35(42(62)52-36(26-58)43(63)54-39(40(46)60)29(3)69-70(65,66)67)23-32-24-47-27-55(32)17-7-5-6-8-20-68-49-25-31-12-9-19-57(31)45-48-16-15-33(53-45)38-14-11-21-71-38/h9,11-12,14-16,19,21,24-25,27-29,34-37,39,58H,5-8,10,13,17-18,20,22-23,26H2,1-4H3,(H2,46,60)(H,50,61)(H,51,64)(H,52,62)(H,54,63)(H2,65,66,67)/b49-25+/t29-,34+,35+,36+,37+,39+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human N-terminal myc-tagged PLK1 polo-box domain (365 to 653 residues) expressed in HEK293T cells...				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480538 (CHEMBL557899) Show SMILES Oc1ccc2CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H11Cl2NO3/c16-10-3-1-8(5-11(10)17)6-18-7-9-2-4-12(19)14(20)13(9)15(18)21/h1-5,19-20H,6-7H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480524 (CHEMBL562366) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(F)c(F)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9F2NO4/c16-9-3-1-7(5-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486165 (CHEMBL2206762) Show SMILES Oc1cc(c2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O)S(=O)(=O)NCCCBr Show InChI InChI=1S/C18H17BrClFN2O5S/c19-4-1-5-22-29(27,28)15-7-14(24)17(25)16-11(15)9-23(18(16)26)8-10-2-3-13(21)12(20)6-10/h2-3,6-7,22,24-25H,1,4-5,8-9H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194939 (CHEMBL3916430) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1csc(n1)N(C(C)=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C43H62N11O13PS/c1-26(2)19-33(49-42(62)36-15-12-17-53(36)28(4)56)39(59)48-34(40(60)50-35(23-55)41(61)51-37(38(44)58)27(3)67-68(63,64)65)20-32-22-45-25-52(32)16-10-7-11-18-66-46-21-30-24-69-43(47-30)54(29(5)57)31-13-8-6-9-14-31/h6,8-9,13-14,21-22,24-27,33-37,55H,7,10-12,15-20,23H2,1-5H3,(H2,44,58)(H,48,59)(H,49,62)(H,50,60)(H,51,61)(H2,63,64,65)/b46-21+/t27-,33+,34+,35+,36+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human N-terminal myc-tagged PLK1 polo-box domain (365 to 653 residues) expressed in HEK293T cells...				Bioorg Med Chem Lett 26: 5009-5012 (2016) Article DOI: 10.1016/j.bmcl.2016.08.098 BindingDB Entry DOI: 10.7270/Q2G44S7H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480544 (CHEMBL550776) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9Cl2NO4/c16-9-3-1-7(5-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair

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