Compile Data Set for Download or QSAR

Found 3118 hits with Last Name = 'pommier' and Initial = 'y'   

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
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412675 (US10399979, Compound 17b) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412673 (US10399979, Compound 13c) Show SMILES CCOC(=O)C(CC)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |w:8.7| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412690 (US10399979, Compound 20a) Show SMILES CC[C@H](C(=O)N1CC(C1)C#N)n1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM412675 (US10399979, Compound 17b) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM437709 (US10617706, Example 143) Show SMILES OB(O)c1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:19| Show InChI InChI=1S/C24H16BClN4O4/c26-17-6-8-18(9-7-17)30-23(31)20-11-15-5-4-14(13-27)10-21(15)29(22(20)28-24(30)32)19-3-1-2-16(12-19)25(33)34/h1-12,22,33-34H,(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.85	n/a	n/a	n/a	n/a	n/a	n/a
REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES US Patent					Assay Description The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...				US Patent US10617706 (2020) BindingDB Entry DOI: 10.7270/Q20C4ZT8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482161 (CHEMBL1082256) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C122H212N52O23/c1-12-67(9)93(112(196)154-62-92(178)157-74(34-21-47-146-115(128)129)96(180)159-76(36-23-49-148-117(132)133)98(182)161-78(38-25-51-150-119(136)137)100(184)163-80(40-27-53-152-121(140)141)102(186)164-79(39-26-52-151-120(138)139)101(185)162-77(37-24-50-149-118(134)135)99(183)160-75(35-22-48-147-116(130)131)97(181)158-73(95(125)179)33-20-46-145-114(126)127)173-105(189)81(41-28-54-153-122(142)143)165-109(193)87(58-70-29-16-14-17-30-70)170-110(194)89(60-72-61-144-63-155-72)172-113(197)94(68(10)13-2)174-111(195)88(59-71-31-18-15-19-32-71)171-108(192)86(57-66(7)8)169-107(191)85(56-65(5)6)168-104(188)83(43-45-91(124)177)166-103(187)82(42-44-90(123)176)167-106(190)84(55-64(3)4)156-69(11)175/h14-19,29-32,61,63-68,73-89,93-94H,12-13,20-28,33-60,62H2,1-11H3,(H2,123,176)(H2,124,177)(H2,125,179)(H,144,155)(H,154,196)(H,156,175)(H,157,178)(H,158,181)(H,159,180)(H,160,183)(H,161,182)(H,162,185)(H,163,184)(H,164,186)(H,165,193)(H,166,187)(H,167,190)(H,168,188)(H,169,191)(H,170,194)(H,171,192)(H,172,197)(H,173,189)(H,174,195)(H4,126,127,145)(H4,128,129,146)(H4,130,131,147)(H4,132,133,148)(H4,134,135,149)(H4,136,137,150)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412674 (US10399979, Compound 17a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-18-10-15-16(11-19(18)28-2)22(26)25(13-6-4-3-5-7-13)20-14-8-9-23-21(14)24-12-17(15)20/h8-13H,3-7H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412687 (US10399979, Compound 18) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482160 (CHEMBL1082257) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C154H269N61O31/c1-19-82(12)115(140(242)189-77-113(219)193-93(45-31-61-180-146(160)161)123(225)195-95(47-33-63-182-148(164)165)125(227)197-97(49-35-65-184-150(168)169)127(229)199-99(51-37-67-186-152(172)173)129(231)200-98(50-36-66-185-151(170)171)128(230)198-96(48-34-64-183-149(166)167)126(228)196-94(46-32-62-181-147(162)163)124(226)194-92(120(157)222)44-30-60-179-145(158)159)212-132(234)100(52-38-68-187-153(174)175)201-137(239)108(73-89-40-26-24-27-41-89)207-138(240)110(75-91-76-178-78-190-91)210-143(245)117(84(14)21-3)214-139(241)109(74-90-42-28-25-29-43-90)208-136(238)106(71-80(8)9)206-135(237)105(70-79(6)7)205-131(233)104(55-58-112(156)218)202-130(232)103(54-57-111(155)217)203-134(236)107(72-81(10)11)209-142(244)116(83(13)20-2)213-133(235)101(53-39-69-188-154(176)177)204-141(243)118(85(15)22-4)215-144(246)119(86(16)23-5)211-121(223)87(17)191-122(224)102(192-88(18)216)56-59-114(220)221/h24-29,40-43,76,78-87,92-110,115-119H,19-23,30-39,44-75,77H2,1-18H3,(H2,155,217)(H2,156,218)(H2,157,222)(H,178,190)(H,189,242)(H,191,224)(H,192,216)(H,193,219)(H,194,226)(H,195,225)(H,196,228)(H,197,227)(H,198,230)(H,199,229)(H,200,231)(H,201,239)(H,202,232)(H,203,236)(H,204,243)(H,205,233)(H,206,237)(H,207,240)(H,208,238)(H,209,244)(H,210,245)(H,211,223)(H,212,234)(H,213,235)(H,214,241)(H,215,246)(H,220,221)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t82-,83-,84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-,119-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM437686 (US10617706, Example 120) Show SMILES OB(O)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:25| Show InChI InChI=1S/C24H17BN4O5/c26-13-14-4-5-15-11-20-22(27-24(31)28-23(20)30)29(21(15)10-14)17-6-8-18(9-7-17)34-19-3-1-2-16(12-19)25(32)33/h1-12,22,32-33H,(H2,27,28,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES US Patent					Assay Description The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...				US Patent US10617706 (2020) BindingDB Entry DOI: 10.7270/Q20C4ZT8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50466000 (CHEMBL4287893) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCNC3)c(=O)c2cc1OC |r| Show InChI InChI=1S/C21H22N4O3/c1-27-17-8-14-15(9-18(17)28-2)21(26)25(12-4-3-6-22-10-12)19-13-5-7-23-20(13)24-11-16(14)19/h5,7-9,11-12,22H,3-4,6,10H2,1-2H3,(H,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27135 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...) Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r| Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50482160 (CHEMBL1082257) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C154H269N61O31/c1-19-82(12)115(140(242)189-77-113(219)193-93(45-31-61-180-146(160)161)123(225)195-95(47-33-63-182-148(164)165)125(227)197-97(49-35-65-184-150(168)169)127(229)199-99(51-37-67-186-152(172)173)129(231)200-98(50-36-66-185-151(170)171)128(230)198-96(48-34-64-183-149(166)167)126(228)196-94(46-32-62-181-147(162)163)124(226)194-92(120(157)222)44-30-60-179-145(158)159)212-132(234)100(52-38-68-187-153(174)175)201-137(239)108(73-89-40-26-24-27-41-89)207-138(240)110(75-91-76-178-78-190-91)210-143(245)117(84(14)21-3)214-139(241)109(74-90-42-28-25-29-43-90)208-136(238)106(71-80(8)9)206-135(237)105(70-79(6)7)205-131(233)104(55-58-112(156)218)202-130(232)103(54-57-111(155)217)203-134(236)107(72-81(10)11)209-142(244)116(83(13)20-2)213-133(235)101(53-39-69-188-154(176)177)204-141(243)118(85(15)22-4)215-144(246)119(86(16)23-5)211-121(223)87(17)191-122(224)102(192-88(18)216)56-59-114(220)221/h24-29,40-43,76,78-87,92-110,115-119H,19-23,30-39,44-75,77H2,1-18H3,(H2,155,217)(H2,156,218)(H2,157,222)(H,178,190)(H,189,242)(H,191,224)(H,192,216)(H,193,219)(H,194,226)(H,195,225)(H,196,228)(H,197,227)(H,198,230)(H,199,229)(H,200,231)(H,201,239)(H,202,232)(H,203,236)(H,204,243)(H,205,233)(H,206,237)(H,207,240)(H,208,238)(H,209,244)(H,210,245)(H,211,223)(H,212,234)(H,213,235)(H,214,241)(H,215,246)(H,220,221)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t82-,83-,84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-,119-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-end processing activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM437707 (US10617706, Example 141) Show SMILES CS(=O)(=O)Nc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:21| Show InChI InChI=1S/C25H18ClN5O4S/c1-36(34,35)29-18-3-2-4-20(13-18)30-22-11-15(14-27)5-6-16(22)12-21-23(30)28-25(33)31(24(21)32)19-9-7-17(26)8-10-19/h2-13,23,29H,1H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.09	n/a	n/a	n/a	n/a	n/a	n/a
REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES US Patent					Assay Description The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...				US Patent US10617706 (2020) BindingDB Entry DOI: 10.7270/Q20C4ZT8
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50521692 (CHEMBL4441013) Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-3-2-4-20(13-18)30-22-11-15(14-27)5-6-16(22)12-21-23(30)28-25(33)31(24(21)32)19-9-7-17(26)8-10-19/h2-13,29H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...				J Med Chem 62: 4669-4682 (2019) Article DOI: 10.1021/acs.jmedchem.9b00274 BindingDB Entry DOI: 10.7270/Q2F1934F
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM437708 (US10617706, Example 142) Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:21| Show InChI InChI=1S/C25H18ClN5O4S/c1-36(34,35)29-18-6-10-19(11-7-18)30-22-12-15(14-27)2-3-16(22)13-21-23(30)28-25(33)31(24(21)32)20-8-4-17(26)5-9-20/h2-13,23,29H,1H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.49	n/a	n/a	n/a	n/a	n/a	n/a
REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES US Patent					Assay Description The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...				US Patent US10617706 (2020) BindingDB Entry DOI: 10.7270/Q20C4ZT8
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50521699 (CHEMBL4572376) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-6-10-19(11-7-18)30-22-12-15(14-27)2-3-16(22)13-21-23(30)28-25(33)31(24(21)32)20-8-4-17(26)5-9-20/h2-13,29H,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...				J Med Chem 62: 4669-4682 (2019) Article DOI: 10.1021/acs.jmedchem.9b00274 BindingDB Entry DOI: 10.7270/Q2F1934F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412676 (US10399979, Compound 17c) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-19-11-16-17(12-20(19)29-2)23(27)26(14-7-5-3-4-6-8-14)21-15-9-10-24-22(15)25-13-18(16)21/h9-14H,3-8H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412672 (US10399979, Compound 13b) Show SMILES COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H17N3O5/c1-25-14-6-11-12(7-15(14)26-2)19(24)22(9-16(23)27-3)17-10-4-5-20-18(10)21-8-13(11)17/h4-8H,9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay				J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG
					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	7	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el...				J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM437703 (US10617706, Example 137) Show SMILES Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1 |c:17| Show InChI InChI=1S/C24H15ClN4O3/c25-16-6-8-17(9-7-16)29-23(31)20-11-15-5-4-14(13-26)10-21(15)28(22(20)27-24(29)32)18-2-1-3-19(30)12-18/h1-12,22,30H,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.25	n/a	n/a	n/a	n/a	n/a	n/a
REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES US Patent					Assay Description The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...				US Patent US10617706 (2020) BindingDB Entry DOI: 10.7270/Q20C4ZT8
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50521689 (CHEMBL4436202) Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N Show InChI InChI=1S/C24H13ClN4O3/c25-16-6-8-17(9-7-16)29-23(31)20-11-15-5-4-14(13-26)10-21(15)28(22(20)27-24(29)32)18-2-1-3-19(30)12-18/h1-12,30H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...				J Med Chem 62: 4669-4682 (2019) Article DOI: 10.1021/acs.jmedchem.9b00274 BindingDB Entry DOI: 10.7270/Q2F1934F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482161 (CHEMBL1082256) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C122H212N52O23/c1-12-67(9)93(112(196)154-62-92(178)157-74(34-21-47-146-115(128)129)96(180)159-76(36-23-49-148-117(132)133)98(182)161-78(38-25-51-150-119(136)137)100(184)163-80(40-27-53-152-121(140)141)102(186)164-79(39-26-52-151-120(138)139)101(185)162-77(37-24-50-149-118(134)135)99(183)160-75(35-22-48-147-116(130)131)97(181)158-73(95(125)179)33-20-46-145-114(126)127)173-105(189)81(41-28-54-153-122(142)143)165-109(193)87(58-70-29-16-14-17-30-70)170-110(194)89(60-72-61-144-63-155-72)172-113(197)94(68(10)13-2)174-111(195)88(59-71-31-18-15-19-32-71)171-108(192)86(57-66(7)8)169-107(191)85(56-65(5)6)168-104(188)83(43-45-91(124)177)166-103(187)82(42-44-90(123)176)167-106(190)84(55-64(3)4)156-69(11)175/h14-19,29-32,61,63-68,73-89,93-94H,12-13,20-28,33-60,62H2,1-11H3,(H2,123,176)(H2,124,177)(H2,125,179)(H,144,155)(H,154,196)(H,156,175)(H,157,178)(H,158,181)(H,159,180)(H,160,183)(H,161,182)(H,162,185)(H,163,184)(H,164,186)(H,165,193)(H,166,187)(H,167,190)(H,168,188)(H,169,191)(H,170,194)(H,171,192)(H,172,197)(H,173,189)(H,174,195)(H4,126,127,145)(H4,128,129,146)(H4,130,131,147)(H4,132,133,148)(H4,134,135,149)(H4,136,137,150)(H4,138,139,151)(H4,140,141,152)(H4,142,143,153)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-end processing activity after 1 hr by densitometric analysis				J Med Chem 53: 5356-60 (2010) Article DOI: 10.1021/jm1003528 BindingDB Entry DOI: 10.7270/Q2BG2RT5
					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
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM437685 (US10617706, Example 119) Show SMILES CC1(C)OB(OC1(C)C)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1 |c:32| Show InChI InChI=1S/C30H27BN4O5/c1-29(2)30(3,4)40-31(39-29)20-6-5-7-23(16-20)38-22-12-10-21(11-13-22)35-25-14-18(17-32)8-9-19(25)15-24-26(35)33-28(37)34-27(24)36/h5-16,26H,1-4H3,(H2,33,34,36,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.28	n/a	n/a	n/a	n/a	n/a	n/a
REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES US Patent					Assay Description The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...				US Patent US10617706 (2020) BindingDB Entry DOI: 10.7270/Q20C4ZT8
					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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM412680 (US10399979, Compound 17d) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(C3CCCCCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C24H27N3O3/c1-29-20-12-17-18(13-21(20)30-2)24(28)27(15-8-6-4-3-5-7-9-15)22-16-10-11-25-23(16)26-14-19(17)22/h10-15H,3-9H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50466000 (CHEMBL4287893) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCNC3)c(=O)c2cc1OC |r| Show InChI InChI=1S/C21H22N4O3/c1-27-17-8-14-15(9-18(17)28-2)21(26)25(12-4-3-6-22-10-12)19-13-5-7-23-20(13)24-11-16(14)19/h5,7-9,11-12,22H,3-4,6,10H2,1-2H3,(H,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM412671 (US10399979, Compound 13a) Show SMILES COc1cc2c3cnc4[nH]ccc4c3n(CC(=O)OC(C)(C)C)c(=O)c2cc1OC Show InChI InChI=1S/C22H23N3O5/c1-22(2,3)30-18(26)11-25-19-12-6-7-23-20(12)24-10-15(19)13-8-16(28-4)17(29-5)9-14(13)21(25)27/h6-10H,11H2,1-5H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM412672 (US10399979, Compound 13b) Show SMILES COC(=O)Cn1c2c3cc[nH]c3ncc2c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H17N3O5/c1-25-14-6-11-12(7-15(14)26-2)19(24)22(9-16(23)27-3)17-10-4-5-20-18(10)21-8-13(11)17/h4-8H,9H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method				J Med Chem 61: 10440-10462 (2018) Article DOI: 10.1021/acs.jmedchem.8b00510 BindingDB Entry DOI: 10.7270/Q2BR8VVW
					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
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)	BDBM50482699 (CHEMBL1241174) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C157H278N60O33/c1-19-84(12)117(143(246)205-94(46-30-31-65-158)126(229)196-96(49-34-68-184-150(166)167)128(231)198-98(51-36-70-186-152(170)171)130(233)200-100(53-38-72-188-154(174)175)132(235)201-101(54-39-73-189-155(176)177)131(234)199-99(52-37-71-187-153(172)173)129(232)197-97(50-35-69-185-151(168)169)127(230)195-95(48-33-67-183-149(164)165)125(228)194-93(122(161)225)47-32-66-182-148(162)163)214-136(239)102(55-40-74-190-156(178)179)202-141(244)111(79-91-42-26-24-27-43-91)210-135(238)107(60-64-116(223)224)207-144(247)118(85(13)20-2)216-142(245)112(80-92-44-28-25-29-45-92)211-140(243)109(77-82(8)9)209-139(242)108(76-81(6)7)208-134(237)106(58-62-114(160)220)203-133(236)105(57-61-113(159)219)204-138(241)110(78-83(10)11)212-146(249)119(86(14)21-3)215-137(240)103(56-41-75-191-157(180)181)206-145(248)120(87(15)22-4)217-147(250)121(88(16)23-5)213-123(226)89(17)192-124(227)104(193-90(18)218)59-63-115(221)222/h24-29,42-45,81-89,93-112,117-121H,19-23,30-41,46-80,158H2,1-18H3,(H2,159,219)(H2,160,220)(H2,161,225)(H,192,227)(H,193,218)(H,194,228)(H,195,230)(H,196,229)(H,197,232)(H,198,231)(H,199,234)(H,200,233)(H,201,235)(H,202,244)(H,203,236)(H,204,241)(H,205,246)(H,206,248)(H,207,247)(H,208,237)(H,209,242)(H,210,238)(H,211,243)(H,212,249)(H,213,226)(H,214,239)(H,215,240)(H,216,245)(H,217,250)(H,221,222)(H,223,224)(H4,162,163,182)(H4,164,165,183)(H4,166,167,184)(H4,168,169,185)(H4,170,171,186)(H4,172,173,187)(H4,174,175,188)(H4,176,177,189)(H4,178,179,190)(H4,180,181,191)/t84-,85-,86-,87-,88-,89-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-,121-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair

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