Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'schiedel' and Initial = 'm'   

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
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148829 (CHEMBL3769432) Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C90H122F3N27O23S/c1-44(2)70-84(140)110-57(9-5-6-28-102-87(143)90(91,92)93)74(130)108-58(10-7-29-103-88(96)97)75(131)109-59(11-8-30-104-89(98)99)76(132)119-71(45(3)121)86(142)116-66(37-68(94)127)81(137)112-61(32-48-14-22-54(124)23-15-48)78(134)111-62(33-49-16-24-55(125)25-17-49)80(136)117-67(73(95)129)40-144-41-69(128)107-60(31-47-12-20-53(123)21-13-47)77(133)113-65(36-52-39-101-43-106-52)83(139)120-72(46(4)122)85(141)115-63(34-50-18-26-56(126)27-19-50)79(135)114-64(82(138)118-70)35-51-38-100-42-105-51/h12-27,38-39,42-46,57-67,70-72,121-126H,5-11,28-37,40-41H2,1-4H3,(H2,94,127)(H2,95,129)(H,100,105)(H,101,106)(H,102,143)(H,107,128)(H,108,130)(H,109,131)(H,110,140)(H,111,134)(H,112,137)(H,113,133)(H,114,135)(H,115,141)(H,116,142)(H,117,136)(H,118,138)(H,119,132)(H,120,139)(H4,96,97,103)(H4,98,99,104)/t45-,46-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,70+,71+,72+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human SIRT2				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follow...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM188519 (SGC-CBP30) Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r| Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human CREBBP by AlphaScreen assay				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50459845 (CHEMBL4227437) Show SMILES COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1 Show InChI InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50459842 (CHEMBL4228286) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccccc5)nn4)c3)s2)n1 Show InChI InChI=1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273645 (CHEMBL4129171) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273645 (CHEMBL4129171) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1cccnc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273654 (CHEMBL4127935) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CCCCC1 Show InChI InChI=1S/C18H23NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h8-10,13,18,20-21H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273654 (CHEMBL4127935) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CCCCC1 Show InChI InChI=1S/C18H23NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h8-10,13,18,20-21H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148782 (CHEMBL3770049) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1 Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148782 (CHEMBL3770049) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1 Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148789 (CHEMBL3771286) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Br)cc34)s2)n1 Show InChI InChI=1S/C22H19BrN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399434 (CHEMBL2179387) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follow...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273629 (CHEMBL4128951) Show SMILES Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1 Show InChI InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273629 (CHEMBL4128951) Show SMILES Cc1noc(C)c1-c1cc(O)cc(CN2CCC(F)(F)CC2)c1 Show InChI InChI=1S/C17H20F2N2O2/c1-11-16(12(2)23-20-11)14-7-13(8-15(22)9-14)10-21-5-3-17(18,19)4-6-21/h7-9,22H,3-6,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50459841 (CHEMBL4225467) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCCCNC(=O)COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)nn4)c3)s2)n1 Show InChI InChI=1S/C40H40N10O8S2/c1-23-15-24(2)44-40(43-23)59-22-34(53)46-39-42-18-28(60-39)17-25-7-5-8-27(16-25)57-20-26-19-49(48-47-26)14-4-3-13-41-33(52)21-58-31-10-6-9-29-35(31)38(56)50(37(29)55)30-11-12-32(51)45-36(30)54/h5-10,15-16,18-19,30H,3-4,11-14,17,20-22H2,1-2H3,(H,41,52)(H,42,46,53)(H,45,51,54)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148784 (CHEMBL3769991) Show SMILES C[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 |r| Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)/t16-/m0/s1	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273652 (CHEMBL4130228) Show SMILES COc1ccccc1C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)13-8-14(10-15(21)9-13)19(22)16-6-4-5-7-17(16)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273652 (CHEMBL4130228) Show SMILES COc1ccccc1C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)13-8-14(10-15(21)9-13)19(22)16-6-4-5-7-17(16)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273619 (CHEMBL4125731) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(C)cc1 Show InChI InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273619 (CHEMBL4125731) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(C)cc1 Show InChI InChI=1S/C19H19NO3/c1-11-4-6-14(7-5-11)19(22)16-8-15(9-17(21)10-16)18-12(2)20-23-13(18)3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273650 (CHEMBL4127775) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccncc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-7-14(9-15(20)8-13)17(21)12-3-5-18-6-4-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273650 (CHEMBL4127775) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccncc1 Show InChI InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-7-14(9-15(20)8-13)17(21)12-3-5-18-6-4-12/h3-9,17,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50459843 (CHEMBL4225505) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC5SCC6NC(=O)NC56)nn4)c3)s2)n1 Show InChI InChI=1S/C55H84N10O15S3/c1-42-34-43(2)59-55(58-42)82-41-51(67)61-54-57-37-47(83-54)36-44-6-5-7-46(35-44)80-39-45-38-65(64-63-45)11-13-70-15-17-72-19-21-74-23-25-76-27-29-78-31-33-79-32-30-77-28-26-75-24-22-73-20-18-71-16-14-69-12-10-56-50(66)9-4-3-8-49-52-48(40-81-49)60-53(68)62-52/h5-7,34-35,37-38,48-49,52H,3-4,8-33,36,39-41H2,1-2H3,(H,56,66)(H,57,61,67)(H2,60,62,68)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148791 (CHEMBL3770797) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3c(C)ccc4ccccc34)s2)n1 Show InChI InChI=1S/C23H22N4OS2/c1-14-8-9-17-6-4-5-7-19(17)20(14)11-18-12-24-22(30-18)27-21(28)13-29-23-25-15(2)10-16(3)26-23/h4-10,12H,11,13H2,1-3H3,(H,24,27,28)	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50151661 (CHEMBL3752296) Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CREBBP				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148792 (CHEMBL3771296) Show SMILES CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1 Show InChI InChI=1S/C24H23ClN4OS2/c1-4-21(32-24-27-14(2)10-15(3)28-24)22(30)29-23-26-13-19(31-23)11-17-7-5-6-16-8-9-18(25)12-20(16)17/h5-10,12-13,21H,4,11H2,1-3H3,(H,26,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50151661 (CHEMBL3752296) Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CREBBP (unknown origin) by alpha screen assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273626 (CHEMBL4126542) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CC1 Show InChI InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273649 (CHEMBL2335143) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273626 (CHEMBL4126542) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)C1CC1 Show InChI InChI=1S/C15H17NO3/c1-8-14(9(2)19-16-8)11-5-12(7-13(17)6-11)15(18)10-3-4-10/h5-7,10,15,17-18H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273649 (CHEMBL2335143) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148783 (CHEMBL3771164) Show SMILES CC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148781 (CHEMBL3770903) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...				J Med Chem 61: 482-491 (2018) Article DOI: 10.1021/acs.jmedchem.6b01872 BindingDB Entry DOI: 10.7270/Q24B33Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148781 (CHEMBL3770903) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273643 (CHEMBL4126957) Show SMILES COc1cccc(c1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-7-15(9-16(21)8-14)19(22)13-5-4-6-17(10-13)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273643 (CHEMBL4126957) Show SMILES COc1cccc(c1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-7-15(9-16(21)8-14)19(22)13-5-4-6-17(10-13)23-3/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148793 (CHEMBL3770258) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4cc(Cl)ccc34)s2)n1 Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)10-16-5-3-4-15-9-17(23)6-7-19(15)16/h3-9,11H,10,12H2,1-2H3,(H,24,27,28)	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	480	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273646 (CHEMBL4126698) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cn1 Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10(2)23-20-9)11-5-12(7-14(21)6-11)17(22)15-4-3-13(18)8-19-15/h3-8,17,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273646 (CHEMBL4126698) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cn1 Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10(2)23-20-9)11-5-12(7-14(21)6-11)17(22)15-4-3-13(18)8-19-15/h3-8,17,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148794 (CHEMBL3771278) Show SMILES CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 Show InChI InChI=1S/C24H24N4OS2/c1-4-21(31-24-26-15(2)12-16(3)27-24)22(29)28-23-25-14-19(30-23)13-18-10-7-9-17-8-5-6-11-20(17)18/h5-12,14,21H,4,13H2,1-3H3,(H,25,28,29)	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	540	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148795 (CHEMBL3769999) Show SMILES CC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1 Show InChI InChI=1S/C23H21ClN4OS2/c1-13-9-14(2)27-23(26-13)30-15(3)21(29)28-22-25-12-19(31-22)10-17-6-4-5-16-7-8-18(24)11-20(16)17/h4-9,11-12,15H,10H2,1-3H3,(H,25,28,29)	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	540	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273687 (CHEMBL4129017) Show SMILES COc1ccc(cc1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-8-15(10-16(21)9-14)19(22)13-4-6-17(23-3)7-5-13/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	585	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273687 (CHEMBL4129017) Show SMILES COc1ccc(cc1)C(O)c1cc(O)cc(c1)-c1c(C)noc1C Show InChI InChI=1S/C19H19NO4/c1-11-18(12(2)24-20-11)14-8-15(10-16(21)9-14)19(22)13-4-6-17(23-3)7-5-13/h4-10,19,21-22H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273655 (CHEMBL4128749) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H16N2O3/c1-11-18(12(2)24-21-11)15-7-16(9-17(22)8-15)19(23)14-5-3-13(10-20)4-6-14/h3-9,19,22-23H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273655 (CHEMBL4128749) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H16N2O3/c1-11-18(12(2)24-21-11)15-7-16(9-17(22)8-15)19(23)14-5-3-13(10-20)4-6-14/h3-9,19,22-23H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	604	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273616 (CHEMBL4128199) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO3/c1-10-17(11(2)23-20-10)13-7-14(9-16(21)8-13)18(22)12-3-5-15(19)6-4-12/h3-9,18,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273616 (CHEMBL4128199) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO3/c1-10-17(11(2)23-20-10)13-7-14(9-16(21)8-13)18(22)12-3-5-15(19)6-4-12/h3-9,18,21-22H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273651 (CHEMBL4126757) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C16H19N3O3/c1-10-15(11(2)22-18-10)12-7-13(9-14(20)8-12)16(21)19-5-3-17-4-6-19/h7-9,17,20H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	722	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273651 (CHEMBL4126757) Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C16H19N3O3/c1-10-15(11(2)22-18-10)12-7-13(9-14(20)8-12)16(21)19-5-3-17-4-6-19/h7-9,17,20H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	724	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins follo...				Bioorg Med Chem 26: 2937-2957 (2018) Article DOI: 10.1016/j.bmc.2018.05.003 BindingDB Entry DOI: 10.7270/Q2Z89FXZ
					More data for this Ligand-Target Pair

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