Compile Data Set for Download or QSAR

Found 1021 hits with Last Name = 'bogdan' and Initial = 'a'   

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))	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 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))	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))	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))	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))	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))	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 [352-457] (Homo sapiens (Human))	BDBM245884 (US9428514, 72) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)CC Show InChI InChI=1S/C26H28F2N2O5S/c1-4-34-25-14-26(31)29(3)16-21(25)20-13-19(30(15-17-6-7-17)36(32,33)5-2)9-11-23(20)35-24-10-8-18(27)12-22(24)28/h8-14,16-17H,4-7,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.28	-49.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	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 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))	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	2.5	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	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))	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	2.60	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))	BDBM50457506 (CHEMBL4204316) Show SMILES Cn1cc2CN(c3ccc(F)cc3F)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23 Show InChI InChI=1S/C23H19F2N3O3S/c1-27-10-14-11-28(20-6-4-15(24)8-18(20)25)19-5-3-13(12-32(2,30)31)7-16(19)17-9-26-23(29)22(27)21(14)17/h3-10H,11-12H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	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))	BDBM50457497 (CHEMBL4214501) Show SMILES CCS(=O)(=O)Nc1ccc2N(Cc3cn(C)c4c3c(c[nH]c4=O)-c2c1)c1ccccn1 Show InChI InChI=1S/C22H21N5O3S/c1-3-31(29,30)25-15-7-8-18-16(10-15)17-11-24-22(28)21-20(17)14(12-26(21)2)13-27(18)19-6-4-5-9-23-19/h4-12,25H,3,13H2,1-2H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	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))	BDBM50457490 (CHEMBL4213481) Show SMILES Cn1cc2CN(c3ccccn3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23 Show InChI InChI=1S/C22H20N4O3S/c1-25-11-15-12-26(19-5-3-4-8-23-19)18-7-6-14(13-30(2,28)29)9-16(18)17-10-24-22(27)21(25)20(15)17/h3-11H,12-13H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	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))	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	3.30	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))	BDBM50457507 (CHEMBL4213045) Show SMILES CCS(=O)(=O)Nc1cnc2N(Cc3c[nH]c4c3c(cn(C)c4=O)-c2c1)c1ccc(F)cc1F Show InChI InChI=1S/C22H19F2N5O3S/c1-3-33(31,32)27-14-7-15-16-11-28(2)22(30)20-19(16)12(8-25-20)10-29(21(15)26-9-14)18-5-4-13(23)6-17(18)24/h4-9,11,25,27H,3,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	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 testis-specific protein (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	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 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))	BDBM50457494 (CHEMBL4206058) Show SMILES CCS(=O)(=O)Nc1cnc2N(Cc3cn(C)c4c3c(c[nH]c4=O)-c2c1)c1ccc(F)cc1F Show InChI InChI=1S/C22H19F2N5O3S/c1-3-33(31,32)27-14-7-15-16-9-26-22(30)20-19(16)12(10-28(20)2)11-29(21(15)25-8-14)18-5-4-13(23)6-17(18)24/h4-10,27H,3,11H2,1-2H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	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 [352-457] (Homo sapiens (Human))	BDBM245911 (US9428514, 99) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1nccs1)S(=O)(=O)CC Show InChI InChI=1S/C26H25F2N3O5S2/c1-4-35-24-14-26(32)30(3)15-20(24)19-13-18(31(38(33,34)5-2)16-25-29-10-11-37-25)7-9-22(19)36-23-8-6-17(27)12-21(23)28/h6-15H,4-5,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.58	-47.6	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457508 (CHEMBL4208136) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)C1CCC(F)(F)CC1 Show InChI InChI=1S/C23H25F2N3O3S/c1-27-12-18-17-9-14(13-32(2,30)31)3-4-19(17)28(16-5-7-23(24,25)8-6-16)11-15-10-26-21(20(15)18)22(27)29/h3-4,9-10,12,16,26H,5-8,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	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))	BDBM50457498 (CHEMBL4218411) Show SMILES CCS(=O)(=O)Nc1ccc2N(Cc3cn(C)c4c3c(c[nH]c4=O)-c2c1)c1ccc(F)cc1 Show InChI InChI=1S/C23H21FN4O3S/c1-3-32(30,31)26-16-6-9-20-18(10-16)19-11-25-23(29)22-21(19)14(12-27(22)2)13-28(20)17-7-4-15(24)5-8-17/h4-12,26H,3,13H2,1-2H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	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 testis-specific protein (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	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))	BDBM50457512 (CHEMBL4202833) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)C(=O)C1CC1 Show InChI InChI=1S/C21H21N3O4S/c1-23-10-16-15-7-12(11-29(2,27)28)3-6-17(15)24(20(25)13-4-5-13)9-14-8-22-19(18(14)16)21(23)26/h3,6-8,10,13,22H,4-5,9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	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))	BDBM50457501 (CHEMBL4217818) Show SMILES CCC(=O)N1Cc2c[nH]c3c2c(cn(C)c3=O)-c2cc(CS(C)(=O)=O)ccc12 Show InChI InChI=1S/C20H21N3O4S/c1-4-17(24)23-9-13-8-21-19-18(13)15(10-22(2)20(19)25)14-7-12(5-6-16(14)23)11-28(3,26)27/h5-8,10,21H,4,9,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	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))	BDBM50457492 (CHEMBL4203764) Show SMILES Cn1cc2CN(C(=O)C3CC3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23 Show InChI InChI=1S/C21H21N3O4S/c1-23-9-14-10-24(21(26)13-4-5-13)17-6-3-12(11-29(2,27)28)7-15(17)16-8-22-20(25)19(23)18(14)16/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	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))	BDBM50457491 (CHEMBL4212062) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(CC3CC3)Cc3c[nH]c(c23)c1=O Show InChI InChI=1S/C21H23N3O3S/c1-23-11-17-16-7-14(12-28(2,26)27)5-6-18(16)24(9-13-3-4-13)10-15-8-22-20(19(15)17)21(23)25/h5-8,11,13,22H,3-4,9-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	8.40	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 [352-457] (Homo sapiens (Human))	BDBM245847 (US9428514, 35) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)COCc2ccccc2)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C29H26F2N2O5/c1-3-37-27-15-29(35)33(2)16-23(27)22-14-21(32-28(34)18-36-17-19-7-5-4-6-8-19)10-12-25(22)38-26-11-9-20(30)13-24(26)31/h4-16H,3,17-18H2,1-2H3,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.36	-45.8	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245885 (US9428514, 73) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1ccccc1)S(=O)(=O)CC Show InChI InChI=1S/C29H28F2N2O5S/c1-4-37-28-17-29(34)32(3)19-24(28)23-16-22(12-14-26(23)38-27-13-11-21(30)15-25(27)31)33(39(35,36)5-2)18-20-9-7-6-8-10-20/h6-17,19H,4-5,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.66	-45.7	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (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	10	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 BRD3 bromodomain 1 to 2 (P24 to P416 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 3 (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	10	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 BRD3 bromodomain 1 to 2 (P24 to P416 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 [352-457] (Homo sapiens (Human))	BDBM245853 (US9428514, 41) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.8	-45.5	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245915 (US9428514, 103) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CCOCC1)S(=O)(=O)CC Show InChI InChI=1S/C28H32F2N2O6S/c1-4-37-27-16-28(33)31(3)18-23(27)22-15-21(7-9-25(22)38-26-8-6-20(29)14-24(26)30)32(39(34,35)5-2)17-19-10-12-36-13-11-19/h6-9,14-16,18-19H,4-5,10-13,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.7	-45.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457504 (CHEMBL4210131) Show SMILES Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(CC3CC3)Cc3c[nH]c(=O)c1c23 Show InChI InChI=1S/C21H23N3O3S/c1-23-11-17-16-7-14(12-28(2,26)27)5-6-18(16)24(9-13-3-4-13)10-15-8-22-21(25)20(23)19(15)17/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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))	BDBM220740 (US9296741, 329) Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C19H21N3O3S/c1-22-11-16(14-7-8-20-18(14)19(22)23)15-9-13(26(2,24)25)5-6-17(15)21-10-12-3-4-12/h5-9,11-12,20-21H,3-4,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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 [352-457] (Homo sapiens (Human))	BDBM245888 (US9428514, 76) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CC1CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C31H30F2N2O5S/c1-3-39-30-17-31(36)34(2)19-26(30)25-16-24(12-14-28(25)40-29-13-11-23(32)15-27(29)33)35(18-21-9-10-21)41(37,38)20-22-7-5-4-6-8-22/h4-8,11-17,19,21H,3,9-10,18,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.1	-45.0	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245886 (US9428514, 74) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1ccccc1Cl)S(=O)(=O)CC Show InChI InChI=1S/C29H27ClF2N2O5S/c1-4-38-28-16-29(35)33(3)18-23(28)22-15-21(11-13-26(22)39-27-12-10-20(31)14-25(27)32)34(40(36,37)5-2)17-19-8-6-7-9-24(19)30/h6-16,18H,4-5,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.5	-44.9	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457510 (CHEMBL4215043) Show SMILES Cn1cc2-c3ccccc3N(CC3CC3)Cc3c[nH]c(c23)c1=O Show InChI InChI=1S/C19H19N3O/c1-21-11-15-14-4-2-3-5-16(14)22(9-12-6-7-12)10-13-8-20-18(17(13)15)19(21)23/h2-5,8,11-12,20H,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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 3 (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	17	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 BRD3 bromodomain 1 to 2 (P24 to P416 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))	BDBM50457499 (CHEMBL4208643) Show SMILES COC(=O)N1Cc2cn(C)c3c2c(c[nH]c3=O)-c2cc(CS(C)(=O)=O)ccc12 Show InChI InChI=1S/C19H19N3O5S/c1-21-8-12-9-22(19(24)27-2)15-5-4-11(10-28(3,25)26)6-13(15)14-7-20-18(23)17(21)16(12)14/h4-8H,9-10H2,1-3H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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 [352-457] (Homo sapiens (Human))	BDBM245909 (US9428514, 97) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cnn(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C27H28F2N4O5S/c1-5-37-26-13-27(34)31(3)17-22(26)21-12-20(8-10-24(21)38-25-9-7-19(28)11-23(25)29)33(39(35,36)6-2)16-18-14-30-32(4)15-18/h7-15,17H,5-6,16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.3	-44.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245903 (US9428514, 91) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(Cc1cccnc1)S(=O)(=O)CC Show InChI InChI=1S/C28H27F2N3O5S/c1-4-37-27-15-28(34)32(3)18-23(27)22-14-21(9-11-25(22)38-26-10-8-20(29)13-24(26)30)33(39(35,36)5-2)17-19-7-6-12-31-16-19/h6-16,18H,4-5,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.6	-44.3	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245893 (US9428514, 81) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2ccc(n2)-c2ccccc2)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C31H26F2N4O4/c1-3-40-29-17-31(39)36(2)18-24(29)23-16-22(10-12-27(23)41-28-11-9-21(32)15-25(28)33)34-30(38)19-37-14-13-26(35-37)20-7-5-4-6-8-20/h4-18H,3,19H2,1-2H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21.9	-43.7	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245898 (US9428514, 86) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cn2nc(C)cc2C)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C27H26F2N4O4/c1-5-36-25-13-27(35)32(4)14-21(25)20-12-19(30-26(34)15-33-17(3)10-16(2)31-33)7-9-23(20)37-24-8-6-18(28)11-22(24)29/h6-14H,5,15H2,1-4H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.6	-43.6	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245914 (US9428514, 102) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(C[C@H]1COCCO1)S(=O)(=O)CC Show InChI InChI=1S/C27H30F2N2O7S/c1-4-36-26-14-27(32)30(3)16-22(26)21-13-19(7-9-24(21)38-25-8-6-18(28)12-23(25)29)31(39(33,34)5-2)15-20-17-35-10-11-37-20/h6-9,12-14,16,20H,4-5,10-11,15,17H2,1-3H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.7	-43.5	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245916 (US9428514, 104) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)N(CCC1CCOCC1)S(=O)(=O)CC Show InChI InChI=1S/C29H34F2N2O6S/c1-4-38-28-18-29(34)32(3)19-24(28)23-17-22(7-9-26(23)39-27-8-6-21(30)16-25(27)31)33(40(35,36)5-2)13-10-20-11-14-37-15-12-20/h6-9,16-20H,4-5,10-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.9	-43.5	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.7...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [352-457] (Homo sapiens (Human))	BDBM245813 (US9428514, 1) Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1Oc1ccc(F)cc1F Show InChI InChI=1S/C28H22ClF3N2O4/c1-3-37-26-14-28(36)34(2)15-21(26)20-13-19(33-27(35)11-16-10-17(30)4-7-22(16)29)6-9-24(20)38-25-8-5-18(31)12-23(25)32/h4-10,12-15H,3,11H2,1-2H3,(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24.6	-43.4	n/a	n/a	n/a	n/a	n/a	6.0	25
AbbVie Inc. US Patent					Assay Description Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 ...				US Patent US9428514 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R49
					More data for this Ligand-Target Pair

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