Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'nauer' and Initial = 'a'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrat...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50094480 (CHEMBL3586232) Show SMILES [H][C@]12OC[C@@]3(CCC1(C)C)CC[C@]1(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CCC(=O)OCC#C)[C@@H](CC[C@@]14C)C(C)=C)[C@@]23[H] |r| Show InChI InChI=1S/C33H50O3/c1-9-20-35-26(34)13-14-30(6)23(22(2)3)12-15-32(8)25(30)11-10-24-27-28-29(4,5)16-18-33(27,21-36-28)19-17-31(24,32)7/h1,23-25,27-28H,2,10-21H2,3-8H3/t23-,24+,25+,27-,28+,30-,31+,32+,33+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Uncompetitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins follow...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50094480 (CHEMBL3586232) Show SMILES [H][C@]12OC[C@@]3(CCC1(C)C)CC[C@]1(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CCC(=O)OCC#C)[C@@H](CC[C@@]14C)C(C)=C)[C@@]23[H] |r| Show InChI InChI=1S/C33H50O3/c1-9-20-35-26(34)13-14-30(6)23(22(2)3)12-15-32(8)25(30)11-10-24-27-28-29(4,5)16-18-33(27,21-36-28)19-17-31(24,32)7/h1,23-25,27-28H,2,10-21H2,3-8H3/t23-,24+,25+,27-,28+,30-,31+,32+,33+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50094483 (CHEMBL3590226) Show SMILES [H][C@]12OC[C@@]3(CCC1(C)C)CC[C@]1(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CC(=O)OCCC=C)[C@@]([H])(CC[C@@]14C)C(C)(C)C(=O)OCC=C)[C@@]23[H] |r| Show InChI InChI=1S/C37H58O5/c1-10-12-22-40-28(38)23-34(7)26(33(5,6)31(39)41-21-11-2)15-16-36(9)27(34)14-13-25-29-30-32(3,4)17-19-37(29,24-42-30)20-18-35(25,36)8/h10-11,25-27,29-30H,1-2,12-24H2,3-9H3/t25-,26+,27-,29+,30-,34+,35-,36-,37-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50094481 (CHEMBL3586240) Show SMILES [H][C@]12OC[C@@]3(CCC1(C)C)CC[C@]1(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CC(=O)OCC#C)[C@@H](CC[C@@]14C)C(C)(C)C(=O)OCC#C)[C@@]23[H] |r| Show InChI InChI=1S/C36H52O5/c1-10-20-39-27(37)22-33(7)25(32(5,6)30(38)40-21-11-2)14-15-35(9)26(33)13-12-24-28-29-31(3,4)16-18-36(28,23-41-29)19-17-34(24,35)8/h1-2,24-26,28-29H,12-23H2,3-9H3/t24-,25+,26-,28+,29-,33+,34-,35-,36-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Uncompetitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins follow...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50094481 (CHEMBL3586240) Show SMILES [H][C@]12OC[C@@]3(CCC1(C)C)CC[C@]1(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CC(=O)OCC#C)[C@@H](CC[C@@]14C)C(C)(C)C(=O)OCC#C)[C@@]23[H] |r| Show InChI InChI=1S/C36H52O5/c1-10-20-39-27(37)22-33(7)25(32(5,6)30(38)40-21-11-2)14-15-35(9)26(33)13-12-24-28-29-31(3,4)16-18-36(28,23-41-29)19-17-34(24,35)8/h1-2,24-26,28-29H,12-23H2,3-9H3/t24-,25+,26-,28+,29-,33+,34-,35-,36-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50094482 (CHEMBL3586228) Show SMILES [H][C@]12OC[C@@]3(CCC1(C)C)CC[C@]1(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]14C)C(C)=C)[C@@]23[H] |r| Show InChI InChI=1S/C26H26N2O5/c29-25(26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-24-15-17-27(18-16-24)19-20-11-13-23(14-12-20)28(31)32/h1-14,24,30H,15-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrat...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50357212 ((L)-SERINE | Serine) Show SMILES N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrat...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50357212 ((L)-SERINE | Serine) Show SMILES N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylthiocholineidioide as substrate preincubated for 20 mins followed by substrate addition...				Bioorg Med Chem Lett 25: 2654-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.086 BindingDB Entry DOI: 10.7270/Q2KW5HS8
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089864 (CHEMBL3577702) Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089864 (CHEMBL3577702) Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089866 (CHEMBL3577625) Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089866 (CHEMBL3577625) Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089864 (CHEMBL3577702) Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089864 (CHEMBL3577702) Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089864 (CHEMBL3577702) Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089866 (CHEMBL3577625) Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089866 (CHEMBL3577625) Show SMILES O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C21H19N5O3/c27-19-10-13-25(21(29)24-19)18-5-2-1-4-17(18)20(28)22-14-15-6-8-16(9-7-15)26-12-3-11-23-26/h1-9,11-12H,10,13-14H2,(H,22,28)(H,24,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089864 (CHEMBL3577702) Show SMILES COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C27H28N4O6/c1-37-18-6-7-19-21(16-18)17(14-23(19)32)15-25(34)29-10-12-30(13-11-29)26(35)20-4-2-3-5-22(20)31-9-8-24(33)28-27(31)36/h2-7,16-17H,8-15H2,1H3,(H,28,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089858 (CHEMBL3577627) Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089858 (CHEMBL3577627) Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089859 (CHEMBL3577628) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089859 (CHEMBL3577628) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089858 (CHEMBL3577627) Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089858 (CHEMBL3577627) Show SMILES Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H18BrN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	912	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50226062 (CHEMBL78593) Show SMILES CCc1c(C)[nH]c2ccc(N(C)C)c(Cl)c12 Show InChI InChI=1S/C13H17ClN2/c1-5-9-8(2)15-10-6-7-11(16(3)4)13(14)12(9)10/h6-7,15H,5H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1 receptor in brain cortical membranes of rat				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50226061 (CHEMBL312405) Show SMILES CCc1c(C)n(C(=O)c2ccc(F)cc2)c2ccc(cc12)N(C)C Show InChI InChI=1S/C20H21FN2O/c1-5-17-13(2)23(20(24)14-6-8-15(21)9-7-14)19-11-10-16(22(3)4)12-18(17)19/h6-12H,5H2,1-4H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its binding affinity towards 5-hydroxytryptamine 1 receptor in rat				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50226105 (CHEMBL81187) Show SMILES CCCn1c(C)c(CC)c2cc(ccc12)N(C)C Show InChI InChI=1S/C16H24N2/c1-6-10-18-12(3)14(7-2)15-11-13(17(4)5)8-9-16(15)18/h8-9,11H,6-7,10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor in rat brain cortical membranes				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50226125 (CHEMBL52816) Show SMILES CCc1c(C)n(C(C)C)c2ccc(cc12)N(C)C Show InChI InChI=1S/C16H24N2/c1-7-14-12(4)18(11(2)3)16-9-8-13(17(5)6)10-15(14)16/h8-11H,7H2,1-6H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1 receptor in brain cortical membranes of rat				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50226061 (CHEMBL312405) Show SMILES CCc1c(C)n(C(=O)c2ccc(F)cc2)c2ccc(cc12)N(C)C Show InChI InChI=1S/C20H21FN2O/c1-5-17-13(2)23(20(24)14-6-8-15(21)9-7-14)19-11-10-16(22(3)4)12-18(17)19/h6-12H,5H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor in rat brain cortical membranes				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50226105 (CHEMBL81187) Show SMILES CCCn1c(C)c(CC)c2cc(ccc12)N(C)C Show InChI InChI=1S/C16H24N2/c1-6-10-18-12(3)14(7-2)15-11-13(17(4)5)8-9-16(15)18/h8-9,11H,6-7,10H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1 receptor in brain cortical membranes of rat				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50226057 (CHEMBL298780) Show SMILES CCc1c(C)n(C)c2ccc(cc12)N(C)C Show InChI InChI=1S/C14H20N2/c1-6-12-10(2)16(5)14-8-7-11(15(3)4)9-13(12)14/h7-9H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1 receptor in brain cortical membranes of rat				J Med Chem 29: 2415-8 (1986) BindingDB Entry DOI: 10.7270/Q2V69MT2
					More data for this Ligand-Target Pair

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