Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'liscio' and Initial = 'p'   

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
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM139658 (US8894989, 37) Show SMILES O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23 Show InChI InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP2 using DNase I-activated herring sperm DNA and [3H]nicotinamide after 2 mins by scintillation counting method				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM139658 (US8894989, 37) Show SMILES O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23 Show InChI InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP1 using DNase I-activated herring sperm DNA and [3H]nicotinamide after 2 mins by scintillation counting method				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM50247642 (CHEMBL4072240) Show SMILES O=c1[nH]c(SCc2cccc(c2)-c2nnn[nH]2)nc(-c2cccs2)c1C#N Show InChI InChI=1S/C17H11N7OS2/c18-8-12-14(13-5-2-6-26-13)19-17(20-16(12)25)27-9-10-3-1-4-11(7-10)15-21-23-24-22-15/h1-7H,9H2,(H,19,20,25)(H,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1 Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS-2 (unknown origin) by TCF/beta-catenin-dependent reporter assay				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50468271 (CHEMBL4290134) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of human TNKS1 (1030 to 1317 residues) by fluorescence based activity assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50318567 (2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1 Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS-1 (unknown origin) by TCF/beta-catenin-dependent reporter assay				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50007582 (CHEMBL3238252) Show SMILES Cc1cc(NCCc2ccc(O)cc2)c2nncn2n1 Show InChI InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of recombinant human TNKS-1				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) by biochemical assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261607 (US10513499, Compound 18 | US11254644, Compound 18 ...) Show SMILES OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50497560 (CHEMBL3344071) Show SMILES Cc1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1 Show InChI InChI=1S/C17H12N2OS/c1-10-6-8-11(9-7-10)16-18-14-12-4-2-3-5-13(12)21-15(14)17(20)19-16/h2-9H,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50126147 (CHEMBL3629571) Show SMILES OC(=O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of rat liver KMO using [3,5-3H]-kynurenine substrate				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261521 (US10513499, Compound 4 | US11254644, Compound 4 | ...) Show SMILES OC(=O)c1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C17H11N3O3S2/c18-8-12-14(13-5-2-6-24-13)19-17(20-15(12)21)25-9-10-3-1-4-11(7-10)16(22)23/h1-7H,9H2,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50497559 (CHEMBL3344072) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N2OS/c1-20(2,3)13-10-8-12(9-11-13)18-21-16-14-6-4-5-7-15(14)24-17(16)19(23)22-18/h4-11H,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50497559 (CHEMBL3344072) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N2OS/c1-20(2,3)13-10-8-12(9-11-13)18-21-16-14-6-4-5-7-15(14)24-17(16)19(23)22-18/h4-11H,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50468269 (CHEMBL4285233) Show SMILES COc1cc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2cc1OC Show InChI InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TNKS1 expressed in Sf9 cells incubated for 1 hr by histone ribosylation assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50468269 (CHEMBL4285233) Show SMILES COc1cc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2cc1OC Show InChI InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TNKS2 expressed in Sf9 cells incubated for 1 hr by histone ribosylation assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261511 (US10513499, Compound 1 | US11254644, Compound 1 | ...) Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C19H13N3O3S/c20-10-15-16(13-6-2-1-3-7-13)21-19(22-17(15)23)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM139658 (US8894989, 37) Show SMILES O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23 Show InChI InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of human recombinant TNKS1 by chemiluminescent assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Mus musculus)	BDBM50007583 (CHEBI:62882 | CHEMBL562310) Show SMILES [H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N(C(=O)[C@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:5| Show InChI InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS-2 in mouse L-Wnt-STF cells assessed as disruption of Wnt signaling after 24 hrs by luciferase reporter gene assay				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50468272 (CHEMBL4293376) Show SMILES [H][C@@]12[C@H]3C[C@H](C=C3)[C@]1([H])C(=O)C(C2=O)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:5| Show InChI InChI=1S/C26H20N2O3/c29-24-20-17-10-11-18(13-17)21(20)25(30)22(24)14-6-8-16(9-7-14)26(31)28-19-5-1-3-15-4-2-12-27-23(15)19/h1-12,17-18,20-22H,13H2,(H,28,31)/t17-,18+,20-,21+,22?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by biochemical assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50188599 (CHEMBL127066) Show SMILES Oc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of human TNKS1 (1030 to 1317 residues) by fluorescence based activity assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50497560 (CHEMBL3344071) Show SMILES Cc1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1 Show InChI InChI=1S/C17H12N2OS/c1-10-6-8-11(9-7-10)16-18-14-12-4-2-3-5-13(12)21-15(14)17(20)19-16/h2-9H,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261535 (US10513499, Compound 6 | US11254644, Compound 6 | ...) Show SMILES OC(=O)c1cccc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C19H19N3O3S/c20-10-15-16(13-6-2-1-3-7-13)21-19(22-17(15)23)26-11-12-5-4-8-14(9-12)18(24)25/h4-5,8-9,13H,1-3,6-7,11H2,(H,24,25)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50468270 (CHEMBL3344061) Show SMILES O=c1[nH]c2ccccc2c2c3ccccc3sc12 Show InChI InChI=1S/C15H9NOS/c17-15-14-13(9-5-1-3-7-11(9)16-15)10-6-2-4-8-12(10)18-14/h1-8H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50468270 (CHEMBL3344061) Show SMILES O=c1[nH]c2ccccc2c2c3ccccc3sc12 Show InChI InChI=1S/C15H9NOS/c17-15-14-13(9-5-1-3-7-11(9)16-15)10-6-2-4-8-12(10)18-14/h1-8H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin)				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261588 (US10513499, Compound 11 | US11254644, Compound 11 ...) Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccccc3)c(Br)c(=O)[nH]2)c1 Show InChI InChI=1S/C18H13BrN2O3S/c19-14-15(12-6-2-1-3-7-12)20-18(21-16(14)22)25-10-11-5-4-8-13(9-11)17(23)24/h1-9H,10H2,(H,23,24)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50247642 (CHEMBL4072240) Show SMILES O=c1[nH]c(SCc2cccc(c2)-c2nnn[nH]2)nc(-c2cccs2)c1C#N Show InChI InChI=1S/C17H11N7OS2/c18-8-12-14(13-5-2-6-26-13)19-17(20-16(12)25)27-9-10-3-1-4-11(7-10)15-21-23-24-22-15/h1-7H,9H2,(H,19,20,25)(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C19 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous as...				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM139658 (US8894989, 37) Show SMILES O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23 Show InChI InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of human recombinant TNKS2 by chemiluminescent assay				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50468272 (CHEMBL4293376) Show SMILES [H][C@@]12[C@H]3C[C@H](C=C3)[C@]1([H])C(=O)C(C2=O)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:5| Show InChI InChI=1S/C26H20N2O3/c29-24-20-17-10-11-18(13-17)21(20)25(30)22(24)14-6-8-16(9-7-14)26(31)28-19-5-1-3-15-4-2-12-27-23(15)19/h1-12,17-18,20-22H,13H2,(H,28,31)/t17-,18+,20-,21+,22?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin)				Eur J Med Chem 142: 506-522 (2017) Article DOI: 10.1016/j.ejmech.2017.09.030 BindingDB Entry DOI: 10.7270/Q2CR5X14
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Mus musculus)	BDBM50007583 (CHEBI:62882 | CHEMBL562310) Show SMILES [H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N(C(=O)[C@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:5| Show InChI InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of TNKS-1 in mouse L-Wnt-STF cells assessed as disruption of Wnt signaling after 24 hrs by luciferase reporter gene assay				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261602 (US10513499, Compound 13 | US11254644, Compound 13 ...) Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccccc3)c(Cl)c(=O)[nH]2)c1 Show InChI InChI=1S/C18H13ClN2O3S/c19-14-15(12-6-2-1-3-7-12)20-18(21-16(14)22)25-10-11-5-4-8-13(9-11)17(23)24/h1-9H,10H2,(H,23,24)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50468270 (CHEMBL3344061) Show SMILES O=c1[nH]c2ccccc2c2c3ccccc3sc12 Show InChI InChI=1S/C15H9NOS/c17-15-14-13(9-5-1-3-7-11(9)16-15)10-6-2-4-8-12(10)18-14/h1-8H,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50497558 (CHEMBL3344065) Show SMILES O=c1[nH]c(cc2c3ccccc3sc12)-c1ccccc1 Show InChI InChI=1S/C17H11NOS/c19-17-16-13(12-8-4-5-9-15(12)20-16)10-14(18-17)11-6-2-1-3-7-11/h1-10H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50007582 (CHEMBL3238252) Show SMILES Cc1cc(NCCc2ccc(O)cc2)c2nncn2n1 Show InChI InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of recombinant human TNKS-2				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50497558 (CHEMBL3344065) Show SMILES O=c1[nH]c(cc2c3ccccc3sc12)-c1ccccc1 Show InChI InChI=1S/C17H11NOS/c19-17-16-13(12-8-4-5-9-15(12)20-16)10-14(18-17)11-6-2-1-3-7-11/h1-10H,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261610 (US10513499, Compound 22 | US11254644, Compound 22 ...) Show SMILES OC(=O)c1cccc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)c1 Show InChI InChI=1S/C19H12ClN3O2S/c20-17-15(10-21)16(13-6-2-1-3-7-13)22-19(23-17)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM16430 ((2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cin...) Show SMILES OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	685	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of tankyrase in human DLD1 cells assessed as reduction in Wnt activity after 24 hrs by TCF-luciferase reporter gene assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of tankyrase in human DLD1 cells assessed as reduction in Wnt activity after 24 hrs by TCF-luciferase reporter gene assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50497559 (CHEMBL3344072) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1 Show InChI InChI=1S/C20H18N2OS/c1-20(2,3)13-10-8-12(9-11-13)18-21-16-14-6-4-5-7-15(14)24-17(16)19(23)22-18/h4-11H,1-3H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of tankyrase in human DLD1 cells assessed as reduction in Wnt activity after 24 hrs by TCF-luciferase reporter gene assay				Eur J Med Chem 87: 611-23 (2014) Article DOI: 10.1016/j.ejmech.2014.10.007 BindingDB Entry DOI: 10.7270/Q2KW5K17
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Rattus norvegicus)	BDBM50061907 ((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...) Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of rat liver KMO using [3,5-3H]-kynurenine substrate				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261603 (US10513499, Compound 14 | US11254644, Compound 14 ...) Show SMILES OC(=O)c1cccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)c1 Show InChI InChI=1S/C18H14N2O3S/c21-16-10-15(13-6-2-1-3-7-13)19-18(20-16)24-11-12-5-4-8-14(9-12)17(22)23/h1-10H,11H2,(H,22,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM50247648 (CHEMBL4082726) Show SMILES ONC(=O)c1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C17H12N4O3S2/c18-8-12-14(13-5-2-6-25-13)19-17(20-16(12)23)26-9-10-3-1-4-11(7-10)15(22)21-24/h1-7,24H,9H2,(H,21,22)(H,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM261555 (US10513499, Compound 10 | US11254644, Compound 10 ...) Show SMILES Cc1nc(SCc2cccc(c2)C(O)=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C14H11N3O3S/c1-8-11(6-15)12(18)17-14(16-8)21-7-9-3-2-4-10(5-9)13(19)20/h2-5H,7H2,1H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM50247652 (CHEMBL4093002) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C19H10F3N5O2S2/c20-19(21,22)17-25-15(27-29-17)11-4-1-3-10(7-11)9-31-18-24-14(13-5-2-6-30-13)12(8-23)16(28)26-18/h1-7H,9H2,(H,24,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (Homo sapiens (Human))	BDBM50247643 (CHEMBL1082811) Show SMILES O=c1[nH]c(SCc2ccccc2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C18H13N3OS/c19-11-15-16(14-9-5-2-6-10-14)20-18(21-17(15)22)23-12-13-7-3-1-4-8-13/h1-10H,12H2,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50007582 (CHEMBL3238252) Show SMILES Cc1cc(NCCc2ccc(O)cc2)c2nncn2n1 Show InChI InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-1				J Med Chem 57: 2807-12 (2014) Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9
					More data for this Ligand-Target Pair
Cytochrome P450 3A1 (Rattus norvegicus (rat))	BDBM261607 (US10513499, Compound 18 | US11254644, Compound 18 ...) Show SMILES OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant rat CYP3A1 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous assay				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM261607 (US10513499, Compound 18 | US11254644, Compound 18 ...) Show SMILES OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous ass...				J Med Chem 61: 745-759 (2018) Article DOI: 10.1021/acs.jmedchem.7b01254 BindingDB Entry DOI: 10.7270/Q22J6F80
					More data for this Ligand-Target Pair

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