Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'monteiro' and Initial = 'o'   

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-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505576 (CHEMBL4458252) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:19| Show InChI InChI=1S/C20H29N3O2/c1-24-17-13-15-16(22-19(21)20(15)7-2-3-8-20)14-18(17)25-12-6-11-23-9-4-5-10-23/h13-14H,2-12H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505583 (CHEMBL4573889) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-28-31-6-7-31)39(24-37(36)44-41(42)43)52-21-5-16-48-25-32-8-9-35(22-33(32)26-48)53-29-34-27-50(46-45-34)20-13-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505578 (CHEMBL4570122) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C43H60N8O4/c1-43(2)37-25-39(55-30-32-6-7-32)40(26-38(37)45-42(43)44)54-22-5-17-49-27-33-8-9-36(24-34(33)28-49)53-23-14-35-29-51(47-46-35)21-13-41(52)50-19-11-31(12-20-50)10-18-48-15-3-4-16-48/h8-9,24-26,29,31-32H,3-7,10-23,27-28,30H2,1-2H3,(H2,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	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 BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505582 (CHEMBL4465568) Show SMILES CCOc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:20| Show InChI InChI=1S/C21H31N3O2/c1-2-25-18-14-16-17(23-20(22)21(16)8-3-4-9-21)15-19(18)26-13-7-12-24-10-5-6-11-24/h14-15H,2-13H2,1H3,(H2,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assay				J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A (Homo sapiens (Human))	BDBM50078630 (CHEMBL4296718) Show SMILES Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1 Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)10-9-26-14-23-19(18-3-2-8-22-12-18)20(26)17-6-4-16(11-21)5-7-17/h2-8,12-14H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Cancer Therapeutics Unit Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				J Med Chem 58: 2553-9 (2015) Article DOI: 10.1021/jm501963e BindingDB Entry DOI: 10.7270/Q2862M28
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505573 (CHEMBL4577068) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C41H56N8O4/c1-41(2)35-21-37(53-27-30-6-7-30)38(22-36(35)43-40(41)42)51-19-5-15-47-23-31-8-9-34(20-32(31)24-47)52-28-33-25-49(45-44-33)26-39(50)48-17-11-29(12-18-48)10-16-46-13-3-4-14-46/h8-9,20-22,25,29-30H,3-7,10-19,23-24,26-28H2,1-2H3,(H2,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50495431 (CHEMBL3108800) Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50495426 (CHEMBL3108801) Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B (Homo sapiens (Human))	BDBM50078630 (CHEMBL4296718) Show SMILES Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1 Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)10-9-26-14-23-19(18-3-2-8-22-12-18)20(26)17-6-4-16(11-21)5-7-17/h2-8,12-14H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Cancer Therapeutics Unit Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				J Med Chem 58: 2553-9 (2015) Article DOI: 10.1021/jm501963e BindingDB Entry DOI: 10.7270/Q2862M28
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by AlphaLI...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50078631 (CHEMBL4650212) Show SMILES CC(C)CS(=O)(=O)N[C@@H]1CCC(=O)N([C@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)11-10-26-14-23-19(17-6-8-22-9-7-17)20(26)18-4-2-16(12-21)3-5-18/h2-9,13-14H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Homogeneous Time Resolved Fluorescence (HTRF) assay. Domain start/stop: L14-Q143				Angew Chem Int Ed Engl 54: 6217-21 (2015) Article DOI: 10.1002/anie.201501394 BindingDB Entry DOI: 10.7270/Q20R9T0J
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50495426 (CHEMBL3108801) Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50495426 (CHEMBL3108801) Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50495429 (CHEMBL3108781) Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12 Show InChI InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50495431 (CHEMBL3108800) Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50266286 (CHEMBL4650213) Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1 Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3	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	263	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay				Sci Adv 1: (2015) Article DOI: 10.1126/sciadv.1500723 BindingDB Entry DOI: 10.7270/Q2S75KX6
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148463 (CHEMBL3770971) Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OCCCc4c3)cc2n(C)c1=O Show InChI InChI=1S/C18H19N3O4S/c1-20-15-7-5-13(11-16(15)21(2)18(20)22)19-26(23,24)14-6-8-17-12(10-14)4-3-9-25-17/h5-8,10-11,19H,3-4,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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 BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148467 (CHEMBL3770004) Show SMILES Cn1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c1=O Show InChI InChI=1S/C21H18ClN3O4S/c1-24-18-12-17(23-30(27,28)16-10-8-14(22)9-11-16)20(13-19(18)25(2)21(24)26)29-15-6-4-3-5-7-15/h3-13,23H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL 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 BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay				J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148468 (CHEMBL3769887) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1 Show InChI InChI=1S/C23H23N3O6S/c1-25-18-13-17(24-33(28,29)16-10-11-20(30-3)22(12-16)31-4)21(14-19(18)26(2)23(25)27)32-15-8-6-5-7-9-15/h5-14,24H,1-4H3	PDB KEGG UniProtKB/SwissProt 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
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148465 (CHEMBL3771151) Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4CCCc4c3)cc2n(C)c1=O Show InChI InChI=1S/C18H19N3O3S/c1-20-16-9-7-14(11-17(16)21(2)18(20)22)19-25(23,24)15-8-6-12-4-3-5-13(12)10-15/h6-11,19H,3-5H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148464 (CHEMBL3771106) Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O Show InChI InChI=1S/C20H23N3O4S/c1-20(2)10-9-13-11-15(6-8-18(13)27-20)28(25,26)21-14-5-7-16-17(12-14)23(4)19(24)22(16)3/h5-8,11-12,21H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt 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
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50495431 (CHEMBL3108800) Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay				J Med Chem 57: 462-76 (2014) Article DOI: 10.1021/jm401568s BindingDB Entry DOI: 10.7270/Q2CC13PD
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50266292 (CHEMBL3906203) Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OCC1CCCN(C)C1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H17N3O3/c1-12-10-17-18(24(3)22(28)23(17)2)11-16(12)25-20(26)14-8-4-6-13-7-5-9-15(19(13)14)21(25)27/h4-11H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay				Cancer Res 75: 5106-5119 (2015) Article DOI: 10.1158/0008-5472.CAN-15-0236 BindingDB Entry DOI: 10.7270/Q2HQ43GJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148460 (CHEMBL1346130) Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4CCCCc4c3)cc2n(C)c1=O Show InChI InChI=1S/C19H21N3O3S/c1-21-17-10-8-15(12-18(17)22(2)19(21)23)20-26(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h7-12,20H,3-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148478 (CHEMBL3769965 | US10702504, Compound A) Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 Show InChI InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505579 (CHEMBL4591023) Show SMILES COc1ccc2CN(CCCOc3cc4N=C(N)C5(CCCC5)c4cc3OCC3CC3)Cc2c1 |t:15| Show InChI InChI=1S/C28H35N3O3/c1-32-22-8-7-20-16-31(17-21(20)13-22)11-4-12-33-26-15-24-23(14-25(26)34-18-19-5-6-19)28(27(29)30-24)9-2-3-10-28/h7-8,13-15,19H,2-6,9-12,16-18H2,1H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148470 (CHEMBL3771002) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1 Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-9-15(29-3)10-12-17)21(14-20(19)25(2)22(24)26)30-16-7-5-4-6-8-16/h4-14,23H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505571 (CHEMBL4528213) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C25H31N3O2/c1-25(2)20-12-22(30-16-17-8-9-17)23(13-21(20)27-24(25)26)29-11-5-10-28-14-18-6-3-4-7-19(18)15-28/h3-4,6-7,12-13,17H,5,8-11,14-16H2,1-2H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148549 (4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...) Show SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C Show InChI InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay				J Med Chem 60: 4002-4022 (2017) Article DOI: 10.1021/acs.jmedchem.7b00306 BindingDB Entry DOI: 10.7270/Q2XG9TKS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505570 (CHEMBL4476309) Show SMILES NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc2C11CCCC1 |t:1| Show InChI InChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription activator BRG1 (Homo sapiens (Human))	BDBM50266286 (CHEMBL4650213) Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1 Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3	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	411	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay				Sci Adv 1: (2015) Article DOI: 10.1126/sciadv.1500723 BindingDB Entry DOI: 10.7270/Q2S75KX6
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148462 (CHEMBL3770886) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1 Show InChI InChI=1S/C18H21N3O3S/c1-12(2)13-5-8-15(9-6-13)25(23,24)19-14-7-10-16-17(11-14)21(4)18(22)20(16)3/h5-12,19H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50148478 (CHEMBL3769965 | US10702504, Compound A) Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 Show InChI InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by Alpha Scr...				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50148475 (CHEMBL3770465) Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1 Show InChI InChI=1S/C22H21N3O4S/c1-15-9-7-8-12-21(15)30(27,28)23-17-13-18-19(25(3)22(26)24(18)2)14-20(17)29-16-10-5-4-6-11-16/h4-14,23H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50148476 (CHEMBL3770391) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1 Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-7-10-16(12-17)29-3)21(14-20(19)25(2)22(24)26)30-15-8-5-4-6-9-15/h4-14,23H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF1B (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50148468 (CHEMBL3769887) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1 Show InChI InChI=1S/C23H23N3O6S/c1-25-18-13-17(24-33(28,29)16-10-11-20(30-3)22(12-16)31-4)21(14-19(18)26(2)23(25)27)32-15-8-6-5-7-9-15/h5-14,24H,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by Alpha Scr...				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
					More data for this Ligand-Target Pair

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