Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'stazi' and Initial = 'g'   

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 deacetylase 6 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155773 (CHEMBL3781751 | US9469597, 5) Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155579 (CHEMBL3546846) Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155763 (CHEMBL3780391) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r| Show InChI InChI=1S/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155764 (CHEMBL3780674) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C24H23N3O3.ClH/c25-22-14-21(22)17-9-11-19(12-10-17)26-23(28)18-7-4-8-20(13-18)27-24(29)30-15-16-5-2-1-3-6-16;/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29);1H/t21-,22+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155766 (CHEMBL3780374) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-4-6-14(7-5-12)21-18(23)13-2-1-3-15(10-13)22-8-9-25-19(22)24;/h1-7,10,16-17H,8-9,11,20H2,(H,21,23);1H/t16-,17+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155767 (CHEMBL3780524) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155579 (CHEMBL3546846) Show SMILES N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155767 (CHEMBL3780524) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-1-5-14(6-2-12)21-18(23)13-3-7-15(8-4-13)22-9-10-25-19(22)24;/h1-8,16-17H,9-11,20H2,(H,21,23);1H/t16-,17+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155763 (CHEMBL3780391) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r| Show InChI InChI=1S/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155764 (CHEMBL3780674) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C24H23N3O3.ClH/c25-22-14-21(22)17-9-11-19(12-10-17)26-23(28)18-7-4-8-20(13-18)27-24(29)30-15-16-5-2-1-3-6-16;/h1-13,21-22H,14-15,25H2,(H,26,28)(H,27,29);1H/t21-,22+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155768 (CHEMBL3781494) Show SMILES Cl.CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C22H27N3O.ClH/c1-25-12-10-16(11-13-25)15-2-4-18(5-3-15)22(26)24-19-8-6-17(7-9-19)20-14-21(20)23;/h2-9,16,20-21H,10-14,23H2,1H3,(H,24,26);1H/t20-,21+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155765 (CHEMBL3781329) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50208827 (2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...) Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155769 (CHEMBL3780542) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-26(32-12-14-35-15-13-32)25(16-21)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155765 (CHEMBL3781329) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155770 (CHEMBL3781885) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-25(26(16-21)32-12-14-35-15-13-32)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					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
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50208827 (2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...) Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					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)
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155580 (CHEMBL3781125) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155580 (CHEMBL3781125) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50155763 (CHEMBL3780391) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)-c2ccoc2)cc1 |r| Show InChI InChI=1S/C20H18N2O2.ClH/c21-19-11-18(19)14-5-7-17(8-6-14)22-20(23)15-3-1-13(2-4-15)16-9-10-24-12-16;/h1-10,12,18-19H,11,21H2,(H,22,23);1H/t18-,19+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155771 (CHEMBL3781560) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1NC(=O)OCc1ccccc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C29H33N5O3.2ClH/c1-33-13-15-34(16-14-33)27-12-9-22(17-26(27)32-29(36)37-19-20-5-3-2-4-6-20)28(35)31-23-10-7-21(8-11-23)24-18-25(24)30;;/h2-12,17,24-25H,13-16,18-19,30H2,1H3,(H,31,35)(H,32,36);2*1H/t24-,25+;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155766 (CHEMBL3780374) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(c2)N2CCOC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O3.ClH/c20-17-11-16(17)12-4-6-14(7-5-12)21-18(23)13-2-1-3-15(10-13)22-8-9-25-19(22)24;/h1-7,10,16-17H,8-9,11,20H2,(H,21,23);1H/t16-,17+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251697 (CHEMBL4093222) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3oc(=O)c21 |c:2| Show InChI InChI=1S/C21H10O4/c22-16-9-10-17(23)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)25-21(24)19(13)18/h1-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155581 (CHEMBL3781124) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					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))	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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155769 (CHEMBL3780542) Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1 |r| Show InChI InChI=1S/C28H30N4O4.ClH/c29-24-17-23(24)20-6-9-22(10-7-20)30-27(33)21-8-11-26(32-12-14-35-15-13-32)25(16-21)31-28(34)36-18-19-4-2-1-3-5-19;/h1-11,16,23-24H,12-15,17-18,29H2,(H,30,33)(H,31,34);1H/t23-,24+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
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)
REST corepressor 1 [4-485] (Homo sapiens (Human))	BDBM50155581 (CHEMBL3781124) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1C[C@@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					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	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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155580 (CHEMBL3781125) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50155580 (CHEMBL3781125) Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N |r| Show InChI InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay				J Med Chem 59: 1501-17 (2016) Article DOI: 10.1021/acs.jmedchem.5b01209 BindingDB Entry DOI: 10.7270/Q2086767
					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
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251724 (CHEMBL4066424) Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:19| Show InChI InChI=1S/C21H17NO4/c1-3-22(4-2)12-5-6-13-14-7-8-15-16(23)9-10-17(24)19(15)20(14)21(25)26-18(13)11-12/h5-11H,3-4H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					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

Displayed 1 to 50 (of 181 total )  |  Next  |  Last  >>

Jump to: