Compile Data Set for Download or QSAR

Found 1405 hits with Last Name = 'betancort' and Initial = 'jm'   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285038 (4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...) Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50158627 (CHEMBL3787482 | US10023592, Example 81) Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50225074 ((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11695 ((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285038 (4-(5-ethylsulfonyl-2-propoxyphenyl)-2-methyl- 6-(1...) Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C25H27N3O4S/c1-5-11-32-24-10-8-19(33(30,31)6-2)13-22(24)23-16-27(3)25(29)20-9-7-17(12-21(20)23)18-14-26-28(4)15-18/h7-10,12-16H,5-6,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285167 (2-methyl-6-(1-methylpyrazol-4-yl)-4-(5- methylsulf...) Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O Show InChI InChI=1S/C24H25N3O4S/c1-5-10-31-23-9-7-18(32(4,29)30)12-21(23)22-15-26(2)24(28)19-8-6-16(11-20(19)22)17-13-25-27(3)14-17/h6-9,11-15H,5,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50158627 (CHEMBL3787482 | US10023592, Example 81) Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C24H25N3O4S/c1-5-31-23-10-8-18(32(29,30)6-2)12-21(23)22-15-26(3)24(28)19-9-7-16(11-20(19)22)17-13-25-27(4)14-17/h7-15H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285167 (2-methyl-6-(1-methylpyrazol-4-yl)-4-(5- methylsulf...) Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O Show InChI InChI=1S/C24H25N3O4S/c1-5-10-31-23-9-7-18(32(4,29)30)12-21(23)22-15-26(2)24(28)19-8-6-16(11-20(19)22)17-13-25-27(3)14-17/h6-9,11-15H,5,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285166 (4-(2-ethoxy-5-methylsulfonylphenyl)-2- methyl-6-(1...) Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O Show InChI InChI=1S/C23H23N3O4S/c1-5-30-22-9-7-17(31(4,28)29)11-20(22)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285034 (4-(5-ethylsulfonyl-2-methoxyphenyl)-2- methyl-6-(1...) Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285039 (4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...) Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285166 (4-(2-ethoxy-5-methylsulfonylphenyl)-2- methyl-6-(1...) Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1)S(C)(=O)=O Show InChI InChI=1S/C23H23N3O4S/c1-5-30-22-9-7-17(31(4,28)29)11-20(22)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295970 ((3R,6S,7aS)-6-amino-5-oxo-6-phenylhexahydropyrrolo...) Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccccc1 |r| Show InChI InChI=1S/C13H13N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h1-5,10-11H,6,8,15H2/t10-,11+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295972 ((3R,6S,7aS)-6-amino-6-isopropyl-5-oxohexahydropyrr...) Show SMILES CC(C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C10H15N3OS/c1-6(2)10(12)3-8-13(9(10)14)7(4-11)5-15-8/h6-8H,3,5,12H2,1-2H3/t7-,8+,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285040 (4-[2-(2-aminoethoxy)-5-ethylsulfonylphenyl]- 2-met...) Show SMILES CCS(=O)(=O)c1ccc(OCCN)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H26N4O4S/c1-4-33(30,31)18-6-8-23(32-10-9-25)21(12-18)22-15-27(2)24(29)19-7-5-16(11-20(19)22)17-13-26-28(3)14-17/h5-8,11-15H,4,9-10,25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284997 (N-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1- oxoisoq...) Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295974 ((3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahy...) Show SMILES CC[C@H](C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C11H17N3OS/c1-3-7(2)11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t7-,8+,9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295971 ((3R,6R,7aS)-6-amino-6-ethyl-5-oxohexahydropyrrolo[...) Show SMILES CC[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C9H13N3OS/c1-2-9(11)3-7-12(8(9)13)6(4-10)5-14-7/h6-7H,2-3,5,11H2,1H3/t6-,7+,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295977 ((3R,6S,7aS)-6-amino-6-cyclohexyl-5-oxohexahydropyr...) Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)C1CCCCC1 |r| Show InChI InChI=1S/C13H19N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h9-11H,1-6,8,15H2/t10-,11+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					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	60	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295973 ((3R,6R,7aS)-6-amino-6-isobutyl-5-oxohexahydropyrro...) Show SMILES CC(C)C[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C11H17N3OS/c1-7(2)3-11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t8-,9+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285034 (4-(5-ethylsulfonyl-2-methoxyphenyl)-2- methyl-6-(1...) Show SMILES CCS(=O)(=O)c1ccc(OC)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295976 ((3R,6S,7aS)-6-amino-6-cyclopentyl-5-oxohexahydropy...) Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)C1CCCC1 |r| Show InChI InChI=1S/C12H17N3OS/c13-6-9-7-17-10-5-12(14,11(16)15(9)10)8-3-1-2-4-8/h8-10H,1-5,7,14H2/t9-,10+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295986 ((3R,6R,7aS)-6-amino-5-oxohexahydropyrrolo[2,1-b]th...) Show SMILES N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C7H9N3OS/c8-2-4-3-12-6-1-5(9)7(11)10(4)6/h4-6H,1,3,9H2/t4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295975 ((3R,6R,7aS)-6-amino-6-benzyl-5-oxohexahydropyrrolo...) Show SMILES N[C@]1(Cc2ccccc2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C14H15N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h1-5,11-12H,6-7,9,16H2/t11-,12+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284997 (N-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1- oxoisoq...) Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295979 ((3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexa...) Show SMILES N[C@]1(CC2CCCCC2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C14H21N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h10-12H,1-7,9,16H2/t11-,12+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284999 (4-(3-ethylsulfonylphenyl)-2-methyl-6-(1- methylpyr...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H21N3O3S/c1-4-29(27,28)18-7-5-6-16(10-18)21-14-24(2)22(26)19-9-8-15(11-20(19)21)17-12-23-25(3)13-17/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285033 (N-[3-(2,6-dimethyl-1-oxoisoquinolin-4-yl) phenyl]m...) Show SMILES Cc1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C18H18N2O3S/c1-12-7-8-15-16(9-12)17(11-20(2)18(15)21)13-5-4-6-14(10-13)19-24(3,22)23/h4-11,19H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285039 (4-[5-ethylsulfonyl-2-(2- hydroxyethoxy)phenyl]-2-m...) Show SMILES CCS(=O)(=O)c1ccc(OCCO)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-4-33(30,31)18-6-8-23(32-10-9-28)21(12-18)22-15-26(2)24(29)19-7-5-16(11-20(19)22)17-13-25-27(3)14-17/h5-8,11-15,28H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295980 ((3R,6S,7aS)-6-amino-6-(4-fluorophenyl)-5-oxohexahy...) Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C13H12FN3OS/c14-9-3-1-8(2-4-9)13(16)5-11-17(12(13)18)10(6-15)7-19-11/h1-4,10-11H,5,7,16H2/t10-,11+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284968 (N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]ethan...) Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C18H18N2O3S/c1-3-24(22,23)19-14-8-6-7-13(11-14)17-12-20(2)18(21)16-10-5-4-9-15(16)17/h4-12,19H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50295978 ((3R,6R,7aS)-6-amino-5-oxo-6-phenethylhexahydropyrr...) Show SMILES N[C@]1(CCc2ccccc2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r| Show InChI InChI=1S/C15H17N3OS/c16-9-12-10-20-13-8-15(17,14(19)18(12)13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-8,10,17H2/t12-,13+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Phenomix Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 by fluorescence assay				Bioorg Med Chem Lett 19: 4437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.05.048 BindingDB Entry DOI: 10.7270/Q2571C1Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284964 (N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]metha...) Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2ccccc2c1=O Show InChI InChI=1S/C17H16N2O3S/c1-19-11-16(14-8-3-4-9-15(14)17(19)20)12-6-5-7-13(10-12)18-23(2,21)22/h3-11,18H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284967 (4-[3-(dimethylsulfamoylamino)phenyl]- 2-methyl-1-o...) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C18H19N3O3S/c1-20(2)25(23,24)19-14-8-6-7-13(11-14)17-12-21(3)18(22)16-10-5-4-9-15(16)17/h4-12,19H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM285032 (N-[3-(6-ethyl-2-methyl-1-oxoisoquinolin-4-yl) phen...) Show SMILES CCc1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C19H20N2O3S/c1-4-13-8-9-16-17(10-13)18(12-21(2)19(16)22)14-6-5-7-15(11-14)20-25(3,23)24/h5-12,20H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284999 (4-(3-ethylsulfonylphenyl)-2-methyl-6-(1- methylpyr...) Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H21N3O3S/c1-4-29(27,28)18-7-5-6-16(10-18)21-14-24(2)22(26)19-9-8-15(11-20(19)21)17-12-23-25(3)13-17/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284983 (N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]propa...) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C19H20N2O3S/c1-3-11-25(23,24)20-15-8-6-7-14(12-15)18-13-21(2)19(22)17-10-5-4-9-16(17)18/h4-10,12-13,20H,3,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284984 (N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]butan...) Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C20H22N2O3S/c1-3-4-12-26(24,25)21-16-9-7-8-15(13-16)19-14-22(2)20(23)18-11-6-5-10-17(18)19/h5-11,13-14,21H,3-4,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM284988 (N-methyl-N-[3-(2-methyl-1-oxoiso- quinolin-4-yl)ph...) Show SMILES CN(c1cccc(c1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O3S/c1-19-12-17(15-9-4-5-10-16(15)18(19)21)13-7-6-8-14(11-13)20(2)24(3,22)23/h4-12H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Curated by ChEMBL					Assay Description Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 28: 1811-1816 (2018) Article DOI: 10.1016/j.bmcl.2018.04.016 BindingDB Entry DOI: 10.7270/Q20Z75WN
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345558 (Propane-1-sulfonic acid [2-(2- chloro-6-methyl-phe...) Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C20H21ClN4O4S/c1-4-10-30(27,28)24-17-11-16(14-8-9-18(26)25(3)12-14)22-20(23-17)29-19-13(2)6-5-7-15(19)21/h5-9,11-12H,4,10H2,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345559 (Propane-2-sulfonic acid [2-(2- chloro-6-methyl-phe...) Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C20H21ClN4O4S/c1-12(2)30(27,28)24-17-10-16(14-8-9-18(26)25(4)11-14)22-20(23-17)29-19-13(3)6-5-7-15(19)21/h5-12H,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345560 (N-(2-(2,6-dimethylphenoxy)-6-(5- methoxy-1-methyl-...) Show SMILES COc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C(C)C)nc(Oc2c(C)cccc2C)n1 Show InChI InChI=1S/C22H26N4O5S/c1-13(2)32(28,29)25-19-11-17(16-10-18(30-6)21(27)26(5)12-16)23-22(24-19)31-20-14(3)8-7-9-15(20)4/h7-13H,1-6H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345561 (N-(2-(2,6-dimethylphenoxy)-6-(5- methoxy-1-methyl-...) Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C)n1)-c1cc(OC)c(=O)n(C)c1 Show InChI InChI=1S/C23H28N4O5S/c1-6-7-11-33(29,30)26-20-13-18(17-12-19(31-5)22(28)27(4)14-17)24-23(25-20)32-21-15(2)9-8-10-16(21)3/h8-10,12-14H,6-7,11H2,1-5H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345562 (Propane-1-sulfonic acid [6-(2- chloro-6-methyl-phe...) Show SMILES CCCS(=O)(=O)Nc1cc(Oc2c(C)cccc2Cl)nc(n1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C21H23ClN4O4S/c1-5-9-31(28,29)25-17-11-18(30-19-13(2)7-6-8-16(19)22)24-20(23-17)15-10-14(3)21(27)26(4)12-15/h6-8,10-12H,5,9H2,1-4H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345563 (Butane-1-sulfonic acid [2-(2-cyano- 6-methyl-pheno...) Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C#N)n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C22H23N5O4S/c1-4-5-11-32(29,30)26-19-12-18(17-9-10-20(28)27(3)14-17)24-22(25-19)31-21-15(2)7-6-8-16(21)13-23/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345564 (Propane-1-sulfonic acid [2-(2- cyano-6-methyl-phen...) Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C#N)n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C21H21N5O4S/c1-4-10-31(28,29)25-18-11-17(16-8-9-19(27)26(3)13-16)23-21(24-18)30-20-14(2)6-5-7-15(20)12-22/h5-9,11,13H,4,10H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM345565 (Propane-2-sulfonic acid [2-(2- cyano-6-methyl-phen...) Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C#N)n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C21H21N5O4S/c1-13(2)31(28,29)25-18-10-17(16-8-9-19(27)26(4)12-16)23-21(24-18)30-20-14(3)6-5-7-15(20)11-22/h5-10,12-13H,1-4H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...				US Patent US10202360 (2019) BindingDB Entry DOI: 10.7270/Q2R213HG
					More data for this Ligand-Target Pair

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