Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'hailu' and Initial = 'gs'   

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
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236570 (CHEMBL4072206) Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1 Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236570 (CHEMBL4072206) Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1 Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM27179 (triazole-linked azithromycin-based compound, 16c) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33+,34-,35-,36+,40+,41-,43+,44-,45+,46-,47+,48-,50+,51-,52-,53-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum HDAC1 using HDAC substrate-3 after 30 mins by fluorescence assay				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM50453752 (CHEMBL4213473) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C |r| Show InChI InChI=1S/C55H91N5O15/c1-13-42-55(10,68)48(64)34(4)45(62)32(2)28-53(8,67)50(35(5)47(36(6)51(66)73-42)74-44-29-54(9,70-12)49(65)37(7)72-44)75-52-46(63)41(27-33(3)71-52)59(11)30-38-22-24-39(25-23-38)40-31-60(58-56-40)26-20-18-16-14-15-17-19-21-43(61)57-69/h22-25,31-37,41-42,44,46-50,52,63-65,67-69H,13-21,26-30H2,1-12H3,(H,57,61)/t32-,33-,34+,35+,36-,37+,41+,42-,44+,46-,47+,48-,49+,50-,52+,53-,54-,55-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum HDAC1 using HDAC substrate-3 after 30 mins by fluorescence assay				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50282619 (CHEMBL4159902) Show SMILES Nc1ccc(O)c2ccncc12 Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236570 (CHEMBL4072206) Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1 Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236566 (CHEMBL4088480) Show SMILES Clc1ccc(cc1)-c1noc(CCCBr)n1 Show InChI InChI=1S/C11H10BrClN2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236564 (CHEMBL4104964) Show SMILES BrCCCCc1nc(no1)-c1ccc(Br)cc1 Show InChI InChI=1S/C12H12Br2N2O/c13-8-2-1-3-11-15-12(16-17-11)9-4-6-10(14)7-5-9/h4-7H,1-3,8H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM43307 (4-methyl-N-(4-oxidanylnaphthalen-1-yl)benzenesulfo...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C17H15NO3S/c1-12-6-8-13(9-7-12)22(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50282490 (CHEMBL4172065) Show SMILES CS(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50239016 (CHEMBL2094337 | DNDI1416947) Show SMILES ONC(=O)c1sc2ccccc2c1Cl Show InChI InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human HDAC8 using Fluor de Lys(R) as substrate by fluorimetric assay				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236563 (CHEMBL4099169) Show SMILES ClCCCc1nc(no1)-c1ccc(Br)cc1 Show InChI InChI=1S/C11H10BrClN2O/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50303931 (4-(dimethylamino)naphthalen-1-ol | CHEMBL571241) Show SMILES CN(C)c1ccc(O)c2ccccc12 Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50282490 (CHEMBL4172065) Show SMILES CS(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236568 (CHEMBL4103565) Show SMILES FC(F)(F)c1ccc(cc1)-c1noc(CCCBr)n1 Show InChI InChI=1S/C12H10BrF3N2O/c13-7-1-2-10-17-11(18-19-10)8-3-5-9(6-4-8)12(14,15)16/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50303931 (4-(dimethylamino)naphthalen-1-ol | CHEMBL571241) Show SMILES CN(C)c1ccc(O)c2ccccc12 Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50239016 (CHEMBL2094337 | DNDI1416947) Show SMILES ONC(=O)c1sc2ccccc2c1Cl Show InChI InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys(R) as substrate by fluorimetric assay				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453761 (CHEMBL4214749) Show SMILES Br.Br.O=C1N(CCNCCCCCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C37H40N4O4/c42-34-28-16-8-12-26-13-9-17-29(32(26)28)35(43)40(34)24-22-38-20-6-4-2-1-3-5-7-21-39-23-25-41-36(44)30-18-10-14-27-15-11-19-31(33(27)30)37(41)45/h8-19,38-39H,1-7,20-25H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453760 (CHEMBL4218232) Show SMILES Br.Br.Br.O=C1N(CCNCCNCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C32H31N5O4/c38-29-23-9-1-5-21-6-2-10-24(27(21)23)30(39)36(29)19-17-34-15-13-33-14-16-35-18-20-37-31(40)25-11-3-7-22-8-4-12-26(28(22)25)32(37)41/h1-12,33-35H,13-20H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50396052 (CHEMBL2170195) Show SMILES O=C1N(CCNCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C34H35N5O4/c40-31-25-11-1-7-23-8-2-12-26(29(23)25)32(41)38(31)21-19-36-17-5-15-35-16-6-18-37-20-22-39-33(42)27-13-3-9-24-10-4-14-28(30(24)27)34(39)43/h1-4,7-14,35-37H,5-6,15-22H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50424422 (BNIPDanon | CHEMBL228002) Show SMILES O=C1N(CCCNCCCCCCCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C39H44N4O4/c44-36-30-18-8-14-28-15-9-19-31(34(28)30)37(45)42(36)26-12-24-40-22-6-4-2-1-3-5-7-23-41-25-13-27-43-38(46)32-20-10-16-29-17-11-21-33(35(29)32)39(43)47/h8-11,14-21,40-41H,1-7,12-13,22-27H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453762 (CHEMBL4204117) Show SMILES Br.Br.O=C1N(CCNCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C33H32N4O4/c38-30-24-12-4-8-22-9-5-13-25(28(22)24)31(39)36(30)20-18-34-16-2-1-3-17-35-19-21-37-32(40)26-14-6-10-23-11-7-15-27(29(23)26)33(37)41/h4-15,34-35H,1-3,16-21H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453763 (CHEMBL4205463) Show SMILES Br.Br.Br.O=C1N(CCNCCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C35H37N5O4/c41-32-26-12-3-8-24-9-4-13-27(30(24)26)33(42)39(32)22-20-37-17-2-1-16-36-18-7-19-38-21-23-40-34(43)28-14-5-10-25-11-6-15-29(31(25)28)35(40)44/h3-6,8-15,36-38H,1-2,7,16-23H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453754 (CHEMBL4215363) Show SMILES Br.Br.O=C1N(CCNCCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C34H34N4O4/c39-31-25-13-5-9-23-10-6-14-26(29(23)25)32(40)37(31)21-19-35-17-3-1-2-4-18-36-20-22-38-33(41)27-15-7-11-24-12-8-16-28(30(24)27)34(38)42/h5-16,35-36H,1-4,17-22H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453759 (CHEMBL4205986) Show SMILES Br.Br.Br.Br.O=C1N(CCNCCCNCCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C38H44N6O4/c45-35-29-13-3-9-27-10-4-14-30(33(27)29)36(46)43(35)25-23-41-21-7-19-39-17-1-2-18-40-20-8-22-42-24-26-44-37(47)31-15-5-11-28-12-6-16-32(34(28)31)38(44)48/h3-6,9-16,39-42H,1-2,7-8,17-26H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453758 (CHEMBL4217062) Show SMILES Br.Br.O=C1N(CCNCCCCCCCCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C40H46N4O4/c45-37-31-19-11-15-29-16-12-20-32(35(29)31)38(46)43(37)27-25-41-23-9-7-5-3-1-2-4-6-8-10-24-42-26-28-44-39(47)33-21-13-17-30-18-14-22-34(36(30)33)40(44)48/h11-22,41-42H,1-10,23-28H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453757 (CHEMBL4211460) Show SMILES Br.Br.O=C1N(CCNCCCCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C36H38N4O4/c41-33-27-15-7-11-25-12-8-16-28(31(25)27)34(42)39(33)23-21-37-19-5-3-1-2-4-6-20-38-22-24-40-35(43)29-17-9-13-26-14-10-18-30(32(26)29)36(40)44/h7-18,37-38H,1-6,19-24H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453756 (CHEMBL4206570) Show SMILES Br.Br.O=C1N(CCNCCCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C35H36N4O4/c40-32-26-14-6-10-24-11-7-15-27(30(24)26)33(41)38(32)22-20-36-18-4-2-1-3-5-19-37-21-23-39-34(42)28-16-8-12-25-13-9-17-29(31(25)28)35(39)43/h6-17,36-37H,1-5,18-23H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453755 (CHEMBL4211052) Show SMILES Br.Br.O=C1N(CCNCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C32H30N4O4/c37-29-23-11-3-7-21-8-4-12-24(27(21)23)30(38)35(29)19-17-33-15-1-2-16-34-18-20-36-31(39)25-13-5-9-22-10-6-14-26(28(22)25)32(36)40/h3-14,33-34H,1-2,15-20H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50453753 (CHEMBL4209842) Show SMILES Br.Br.O=C1N(CCNCCCCCCCCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C38H42N4O4/c43-35-29-17-9-13-27-14-10-18-30(33(27)29)36(44)41(35)25-23-39-21-7-5-3-1-2-4-6-8-22-40-24-26-42-37(45)31-19-11-15-28-16-12-20-32(34(28)31)38(42)46/h9-20,39-40H,1-8,21-26H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236569 (CHEMBL4078389) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1noc(CCCBr)n1 Show InChI InChI=1S/C11H10BrN3O3/c12-7-1-2-10-13-11(14-18-10)8-3-5-9(6-4-8)15(16)17/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase (Leishmania infantum)	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50282619 (CHEMBL4159902) Show SMILES Nc1ccc(O)c2ccncc12 Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50282619 (CHEMBL4159902) Show SMILES Nc1ccc(O)c2ccncc12 Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM43339 (4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...) Show SMILES Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236567 (CHEMBL4068993) Show SMILES COc1ccc(cc1)-c1noc(CCCBr)n1 Show InChI InChI=1S/C12H13BrN2O2/c1-16-10-6-4-9(5-7-10)12-14-11(17-15-12)3-2-8-13/h4-7H,2-3,8H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM43307 (4-methyl-N-(4-oxidanylnaphthalen-1-yl)benzenesulfo...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12 Show InChI InChI=1S/C17H15NO3S/c1-12-6-8-13(9-7-12)22(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239016 (CHEMBL2094337 | DNDI1416947) Show SMILES ONC(=O)c1sc2ccccc2c1Cl Show InChI InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica e Tecnologie del Farmaco "Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using Z(Ac)Lys-AMC as substrate by fluorimetric assay				J Med Chem 60: 4780-4804 (2017) Article DOI: 10.1021/acs.jmedchem.6b01595 BindingDB Entry DOI: 10.7270/Q2JD50D0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236571 (CHEMBL4076175) Show SMILES Fc1ccc(cc1)-c1noc(CCCBr)n1 Show InChI InChI=1S/C11H10BrFN2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50236565 (CHEMBL4090249) Show SMILES CC(=O)OCCCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H13ClN2O3/c1-9(17)18-8-2-3-12-15-13(16-19-12)10-4-6-11(14)7-5-10/h4-7H,2-3,8H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bayreuth Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using ...				J Med Chem 60: 2344-2360 (2017) Article DOI: 10.1021/acs.jmedchem.6b01609 BindingDB Entry DOI: 10.7270/Q2J968NS
					More data for this Ligand-Target Pair

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