Compile Data Set for Download or QSAR

Found 537 hits with Last Name = 'marjanovic' and Initial = 'j'   

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 2 (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD2 bromodomain 1 to 2 (G73 to A560 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by b...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260067 (CHEMBL4078267 | US9957263, Example 78) Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390899 (N-{4-(2,4-difluorophenoxy)-3-[2-(3-methoxyprop-1-y...) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-17-10-11-23(36-25-21(27)8-5-9-22(25)28)18(14-17)20-15-31(2)26(32)24-19(20)13-16(29-24)7-6-12-35-3/h5,8-11,13-15,29-30H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.605	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50156345 (CHEMBL3787680 | US9957263, Example 149) Show SMILES CCS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C30H37N5O4S/c1-3-40(37,38)23-9-10-28(39-22-7-5-4-6-8-22)24(15-23)26-19-34(2)30(36)29-25(26)16-27(33-29)20-17-32-35(18-20)21-11-13-31-14-12-21/h9-10,15-19,21-22,31,33H,3-8,11-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.669	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRDT bromodomain 1 to 2 (N21to P380 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by br...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457496 (CHEMBL4217457) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromo...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390749 (US9957263, Example 11) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(O)=O)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H19F2N3O6S/c1-3-35(32,33)27-18-9-14(16-11-28(2)22(29)21-13(16)6-7-26-21)20(10-15(18)23(30)31)34-19-5-4-12(24)8-17(19)25/h4-11,26-27H,3H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457496 (CHEMBL4217457) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F Show InChI InChI=1S/C23H19F2N3O3S/c1-27-11-17-16-7-13(12-32(2,30)31)3-5-19(16)28(20-6-4-15(24)8-18(20)25)10-14-9-26-22(21(14)17)23(27)29/h3-9,11,26H,10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457500 (CHEMBL4212498) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H20FN3O3S/c1-26-12-19-18-9-14(13-31(2,29)30)3-8-20(18)27(17-6-4-16(24)5-7-17)11-15-10-25-22(21(15)19)23(26)28/h3-10,12,25H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260067 (CHEMBL4078267 | US9957263, Example 78) Show SMILES CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C30H28N4O5S/c1-19(35)33-21-9-7-20(8-10-21)17-32-22-5-4-6-23(15-22)39-28-12-11-24(40(3,37)38)16-26(28)27-18-34(2)30(36)29-25(27)13-14-31-29/h4-16,18,31-32H,17H2,1-3H3,(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390749 (US9957263, Example 11) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(O)=O)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H19F2N3O6S/c1-3-35(32,33)27-18-9-14(16-11-28(2)22(29)21-13(16)6-7-26-21)20(10-15(18)23(30)31)34-19-5-4-12(24)8-17(19)25/h4-11,26-27H,3H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390787 (US9957263, Example 49) Show SMILES CS(=O)(=O)c1ccc(Oc2cccc(NS(=O)(=O)C3CC3)c2)c(c1)-c1c[nH]c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H21N3O6S2/c1-33(28,29)17-7-8-21(19(12-17)20-13-25-23(27)22-18(20)9-10-24-22)32-15-4-2-3-14(11-15)26-34(30,31)16-5-6-16/h2-4,7-13,16,24,26H,5-6H2,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390791 (US9957263, Example 53) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C29H27N3O8S2/c1-32-17-24(22-12-13-30-28(22)29(32)33)23-15-20(41(4,34)35)8-10-25(23)40-19-7-5-6-18(14-19)31-42(36,37)21-9-11-26(38-2)27(16-21)39-3/h5-17,30-31H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390790 (US9957263, Example 52) Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C28H24FN3O6S2/c1-17-13-18(29)7-10-26(17)40(36,37)31-19-5-4-6-20(14-19)38-25-9-8-21(39(3,34)35)15-23(25)24-16-32(2)28(33)27-22(24)11-12-30-27/h4-16,30-31H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390792 (US9957263, Example 54) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3ccc(cc3)S(C)(=O)=O)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C28H25N3O8S3/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(41(3,35)36)11-12-26(24)39-19-6-4-5-18(15-19)30-42(37,38)21-9-7-20(8-10-21)40(2,33)34/h4-17,29-30H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390813 (US9957263, Example 76) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3ccc4OCCOc4c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C30H27N3O6S/c1-33-18-25(23-10-11-31-29(23)30(33)34)24-16-22(40(2,35)36)7-9-26(24)39-21-5-3-4-20(15-21)32-17-19-6-8-27-28(14-19)38-13-12-37-27/h3-11,14-16,18,31-32H,12-13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260084 (CHEMBL4096313 | US9957263, Example 110) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc3ccccc3c2)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(58.54,-.63,;59.88,-1.39,;59.89,-2.94,;61.23,-3.69,;61.24,-5.24,;62.58,-5.99,;62.59,-7.54,;61.25,-8.32,;59.92,-7.55,;59.92,-6.02,;58.58,-5.25,;57.25,-6.03,;57.26,-7.56,;55.92,-8.34,;54.58,-7.57,;54.58,-6.03,;55.91,-5.26,;53.25,-8.34,;51.91,-7.57,;50.58,-8.34,;50.58,-9.87,;49.25,-10.64,;47.91,-9.87,;46.58,-10.64,;45.25,-9.88,;45.25,-8.33,;46.58,-7.56,;47.91,-8.33,;49.24,-7.56,;63.93,-8.31,;63.93,-9.85,;64.69,-6.97,;65.47,-8.3,;62.55,-2.91,;64.01,-3.38,;64.9,-2.14,;64,-.9,;62.55,-1.38,;61.21,-.61,;61.2,.94,)| Show InChI InChI=1S/C32H34N4O3S/c1-36-20-29(27-15-16-33-31(27)32(36)37)28-18-26(40(2,38)39)13-14-30(28)35-25-11-9-24(10-12-25)34-19-21-7-8-22-5-3-4-6-23(22)17-21/h3-8,13-18,20,24-25,33-35H,9-12,19H2,1-2H3/t24-,25-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390788 (US9957263, Example 50) Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C28H25N3O6S2/c1-18-6-4-9-22(14-18)39(35,36)30-19-7-5-8-20(15-19)37-26-11-10-21(38(3,33)34)16-24(26)25-17-31(2)28(32)27-23(25)12-13-29-27/h4-17,29-30H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 1 (K57 to E168 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromod...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457495 (CHEMBL4215988) Show SMILES Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23 Show InChI InChI=1S/C23H20FN3O3S/c1-26-11-15-12-27(17-6-4-16(24)5-7-17)20-8-3-14(13-31(2,29)30)9-18(20)19-10-25-23(28)22(26)21(15)19/h3-11H,12-13H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 1 (K57 to E168 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromod...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390798 (US9957263, Example 61) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3ccc(cc3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C29H24N4O4S/c1-33-18-26(24-12-13-31-28(24)29(33)34)25-15-23(38(2,35)36)10-11-27(25)37-22-5-3-4-21(14-22)32-17-20-8-6-19(16-30)7-9-20/h3-15,18,31-32H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260065 (CHEMBL4088597 | US9957263, Example 63) Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2(F)F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCN(C)C Show InChI InChI=1S/C25H27F2N3O4S/c1-5-35(32,33)18-8-9-22(34-15-16-13-25(16,26)27)19(12-18)21-14-30(4)24(31)23-20(21)11-17(28-23)7-6-10-29(2)3/h8-9,11-12,14,16,28H,5,10,13,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390799 (US9957263, Example 62) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3ccc(F)cc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C28H24FN3O4S/c1-32-17-25(23-12-13-30-27(23)28(32)33)24-15-22(37(2,34)35)10-11-26(24)36-21-5-3-4-20(14-21)31-16-18-6-8-19(29)9-7-18/h3-15,17,30-31H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390811 (US9957263, Example 74) Show SMILES CN(C)CCCOc1ccc(CNc2cccc(Oc3ccc(cc3-c3cn(C)c(=O)c4[nH]ccc34)S(C)(=O)=O)c2)cc1 Show InChI InChI=1S/C33H36N4O5S/c1-36(2)17-6-18-41-25-11-9-23(10-12-25)21-35-24-7-5-8-26(19-24)42-31-14-13-27(43(4,39)40)20-29(31)30-22-37(3)33(38)32-28(30)15-16-34-32/h5,7-16,19-20,22,34-35H,6,17-18,21H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM220447 (US10633379, Compound X | US9296741, 36) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457489 (CHEMBL4208129) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1 Show InChI InChI=1S/C22H20N4O3S/c1-25-12-17-16-9-14(13-30(2,28)29)6-7-18(16)26(19-5-3-4-8-23-19)11-15-10-24-21(20(15)17)22(25)27/h3-10,12,24H,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromo...				Bioorg Med Chem Lett 28: 1804-1810 (2018) Article DOI: 10.1016/j.bmcl.2018.04.020 BindingDB Entry DOI: 10.7270/Q2542R63
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390746 (US9957263, Example 8) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(N)=O)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H20F2N4O5S/c1-3-35(32,33)28-18-9-14(16-11-29(2)23(31)21-13(16)6-7-27-21)20(10-15(18)22(26)30)34-19-5-4-12(24)8-17(19)25/h4-11,27-28H,3H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390924 (US9957263, Example 188) Show SMILES CN1CCN(Cc2cc3c(cn(C)c(=O)c3[nH]2)-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)C(C1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390806 (US9957263, Example 69) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(OC(F)(F)F)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C29H24F3N3O5S/c1-35-17-25(23-11-12-33-27(23)28(35)36)24-15-22(41(2,37)38)9-10-26(24)39-20-7-4-6-19(14-20)34-16-18-5-3-8-21(13-18)40-29(30,31)32/h3-15,17,33-34H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390845 (US9957263, Example 109) Show SMILES Cn1cc(-c2cc(ccc2N[C@H]2CC[C@@H](CC2)NCc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c2c1=O |r,wU:11.11,wD:14.18,(4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-5.33,-4.62,;-5.33,-3.08,;-4,-2.31,;-6.67,-5.39,;-6.67,-6.93,;-8,-7.7,;-8,-9.24,;-9.34,-10.01,;-10.67,-9.24,;-12,-10.01,;-10.67,-7.7,;-9.34,-6.93,;-9.34,-5.39,;4,-5.39,;4.77,-4.06,;5.33,-6.16,;3.23,-6.72,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;1.33,3.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390750 (US9957263, Example 12) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H28F2N4O6S/c1-3-41(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)6-9-31-26)25(40-24-5-4-16(29)12-22(24)30)14-20(23)27(35)32-17-7-10-39-11-8-17/h4-6,9,12-15,17,31,33H,3,7-8,10-11H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390870 (US9957263, Example 134) Show SMILES CCNC(=O)\C=C\c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(=O)(=O)CC Show InChI InChI=1S/C29H31N3O5S/c1-6-30-26(33)14-11-20-15-23-24(17-32(5)29(34)27(23)31-20)22-16-21(38(35,36)7-2)12-13-25(22)37-28-18(3)9-8-10-19(28)4/h8-17,31H,6-7H2,1-5H3,(H,30,33)/b14-11+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390899 (N-{4-(2,4-difluorophenoxy)-3-[2-(3-methoxyprop-1-y...) Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(cc12)C#CCOC Show InChI InChI=1S/C26H23F2N3O5S/c1-4-37(33,34)30-17-10-11-23(36-25-21(27)8-5-9-22(25)28)18(14-17)20-15-31(2)26(32)24-19(20)13-16(29-24)7-6-12-35-3/h5,8-11,13-15,29-30H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390803 (US9957263, Example 66) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(O)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C28H25N3O5S/c1-31-17-25(23-11-12-29-27(23)28(31)33)24-15-22(37(2,34)35)9-10-26(24)36-21-8-4-6-19(14-21)30-16-18-5-3-7-20(32)13-18/h3-15,17,29-30,32H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390743 (US9957263, Example 5) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCN(C)CC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H31F2N5O4S/c1-4-40(37,38)32-24-15-21(22-17-34(3)28(36)27-20(22)7-8-31-27)26(39-25-6-5-19(29)14-23(25)30)13-18(24)16-35-11-9-33(2)10-12-35/h5-8,13-15,17,31-32H,4,9-12,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390747 (US9957263, Example 9) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H28F2N4O5S/c1-3-40(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)10-11-31-26)25(39-24-9-8-16(29)12-22(24)30)14-20(23)27(35)32-17-6-4-5-7-17/h8-15,17,31,33H,3-7H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260066 (CHEMBL4067346 | US9957263, Example 4) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CN1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C27H28F2N4O5S/c1-3-39(35,36)31-23-14-20(21-16-32(2)27(34)26-19(21)6-7-30-26)25(38-24-5-4-18(28)13-22(24)29)12-17(23)15-33-8-10-37-11-9-33/h4-7,12-14,16,30-31H,3,8-11,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390750 (US9957263, Example 12) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCOCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H28F2N4O6S/c1-3-41(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)6-9-31-26)25(40-24-5-4-16(29)12-22(24)30)14-20(23)27(35)32-17-7-10-39-11-8-17/h4-6,9,12-15,17,31,33H,3,7-8,10-11H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390784 (US9957263, Example 46) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C30H29N3O6S2/c1-19(2)20-8-10-23(11-9-20)41(37,38)32-21-6-5-7-22(16-21)39-28-13-12-24(40(4,35)36)17-26(28)27-18-33(3)30(34)29-25(27)14-15-31-29/h5-19,31-32H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390746 (US9957263, Example 8) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(N)=O)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H20F2N4O5S/c1-3-35(32,33)28-18-9-14(16-11-29(2)23(31)21-13(16)6-7-27-21)20(10-15(18)22(26)30)34-19-5-4-12(24)8-17(19)25/h4-11,27-28H,3H2,1-2H3,(H2,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390773 (US9957263, Example 35) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(c2)C(=O)NCCN2CCCC2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C28H30N4O5S/c1-31-18-24(22-10-11-29-26(22)28(31)34)23-17-21(38(2,35)36)8-9-25(23)37-20-7-5-6-19(16-20)27(33)30-12-15-32-13-3-4-14-32/h5-11,16-18,29H,3-4,12-15H2,1-2H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390776 (US9957263, Example 38) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)Cc3ccccc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C28H25N3O6S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(38(2,33)34)11-12-26(24)37-21-10-6-9-20(15-21)30-39(35,36)18-19-7-4-3-5-8-19/h3-17,29-30H,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390744 (US9957263, Example 6) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1CO)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H21F2N3O5S/c1-3-34(31,32)27-19-10-16(17-11-28(2)23(30)22-15(17)6-7-26-22)21(8-13(19)12-29)33-20-5-4-14(24)9-18(20)25/h4-11,26-27,29H,3,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390747 (US9957263, Example 9) Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C(=O)NC1CCCC1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H28F2N4O5S/c1-3-40(37,38)33-23-13-19(21-15-34(2)28(36)26-18(21)10-11-31-26)25(39-24-9-8-16(29)12-22(24)30)14-20(23)27(35)32-17-6-4-5-7-17/h8-15,17,31,33H,3-7H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390797 (US9957263, Example 60) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C29H24N4O4S/c1-33-18-26(24-11-12-31-28(24)29(33)34)25-15-23(38(2,35)36)9-10-27(25)37-22-8-4-7-21(14-22)32-17-20-6-3-5-19(13-20)16-30/h3-15,18,31-32H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390778 (US9957263, Example 40) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)c3cccc(F)c3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C27H22FN3O6S2/c1-31-16-24(22-11-12-29-26(22)27(31)32)23-15-20(38(2,33)34)9-10-25(23)37-19-7-4-6-18(14-19)30-39(35,36)21-8-3-5-17(28)13-21/h3-16,29-30H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390790 (US9957263, Example 52) Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C28H24FN3O6S2/c1-17-13-18(29)7-10-26(17)40(36,37)31-19-5-4-6-20(14-19)38-25-9-8-21(39(3,34)35)15-23(25)24-16-32(2)28(33)27-22(24)11-12-30-27/h4-16,30-31H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260068 (CHEMBL4075943 | US9957263, Example 39) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1 Show InChI InChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM390802 (US9957263, Example 65) Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCC3CCCO3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2Q81GDF
					More data for this Ligand-Target Pair

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