Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50001332   

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))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4-BD1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) cells using protein thermal shift d...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276664 (CHEMBL4168169) Show SMILES C[C@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC3)c2c1)c1ccc(C)cc1C |r| Show InChI InChI=1S/C23H29N3O/c1-14-6-10-20(15(2)12-14)16(3)24-18-7-11-21-22(13-18)26(19-8-9-19)17(4)23(27)25(21)5/h6-7,10-13,16-17,19,24H,8-9H2,1-5H3/t16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276619 (CHEMBL4169634) Show SMILES C[C@H](Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CC3)c2c1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	70	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276622 (CHEMBL4176419) Show SMILES C[C@H](Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276620 (CHEMBL4176830) Show SMILES C[C@H](Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(C)cc1C |r| Show InChI InChI=1S/C23H29N3O/c1-14-6-10-20(15(2)12-14)16(3)24-18-7-11-21-22(13-18)26(19-8-9-19)17(4)23(27)25(21)5/h6-7,10-13,16-17,19,24H,8-9H2,1-5H3/t16-,17?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276621 (CHEMBL4168553) Show SMILES C[C@H](Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H24FN3O/c1-13(15-4-6-16(22)7-5-15)23-17-8-11-19-20(12-17)25(18-9-10-18)14(2)21(26)24(19)3/h4-8,11-14,18,23H,9-10H2,1-3H3/t13-,14?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276637 (CHEMBL4165131) Show SMILES CC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(C)cc1C Show InChI InChI=1S/C23H29N3O/c1-14-6-10-20(15(2)12-14)16(3)24-18-7-11-21-22(13-18)26(19-8-9-19)17(4)23(27)25(21)5/h6-7,10-13,16-17,19,24H,8-9H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM192755 (TG101209 | US11279703, TABLE 6.171 | US11643396, E...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1 Show InChI InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged BRD4-BD1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) cells using protein thermal shift d...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276639 (CHEMBL4171848) Show SMILES CC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(C)cc1 Show InChI InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276646 (CHEMBL4174233) Show SMILES C[C@H](Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276602 (CHEMBL4177190) Show SMILES CC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O/c1-13(15-4-6-16(22)7-5-15)23-17-8-11-19-20(12-17)25(18-9-10-18)14(2)21(26)24(19)3/h4-8,11-14,18,23H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276605 (CHEMBL4166215) Show SMILES COc1ccc(cc1)[C@H](C)Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1 |r| Show InChI InChI=1S/C22H27N3O2/c1-14(16-5-10-19(27-4)11-6-16)23-17-7-12-20-21(13-17)25(18-8-9-18)15(2)22(26)24(20)3/h5-7,10-15,18,23H,8-9H2,1-4H3/t14-,15?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276648 (CHEMBL4175811) Show SMILES CC1N(C2CC2)c2cc(NC(=O)c3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C21H23N3O2/c1-13-4-6-15(7-5-13)20(25)22-16-8-11-18-19(12-16)24(17-9-10-17)14(2)21(26)23(18)3/h4-8,11-12,14,17H,9-10H2,1-3H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276657 (CHEMBL4176065) Show SMILES CC1N(C2CC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C20H23N3O3S/c1-13-4-9-17(10-5-13)27(25,26)21-15-6-11-18-19(12-15)23(16-7-8-16)14(2)20(24)22(18)3/h4-6,9-12,14,16,21H,7-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					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	260	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276638 (CHEMBL4169351) Show SMILES CC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O/c1-13(15-4-6-16(22)7-5-15)23-17-8-11-19-20(12-17)25(18-9-10-18)14(2)21(26)24(19)3/h4-8,11-14,18,23H,9-10H2,1-3H3	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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276640 (CHEMBL4163972) Show SMILES CC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccccc1C Show InChI InChI=1S/C22H27N3O/c1-14-7-5-6-8-19(14)15(2)23-17-9-12-20-21(13-17)25(18-10-11-18)16(3)22(26)24(20)4/h5-9,12-13,15-16,18,23H,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276655 (CHEMBL4159024) Show SMILES CC1N(C2CC2)c2nc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C19H22N4O3S/c1-12-4-8-15(9-5-12)27(25,26)21-17-11-10-16-18(20-17)23(14-6-7-14)13(2)19(24)22(16)3/h4-5,8-11,13-14H,6-7H2,1-3H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276606 (CHEMBL4173035) Show SMILES COc1ccc(cc1)C(C)Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1 Show InChI InChI=1S/C22H27N3O2/c1-14(16-5-10-19(27-4)11-6-16)23-17-7-12-20-21(13-17)25(18-8-9-18)15(2)22(26)24(20)3/h5-7,10-15,18,23H,8-9H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276647 (CHEMBL4163219) Show SMILES CC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccccc1 Show InChI InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276658 (CHEMBL4168214) Show SMILES CC(C)N1C(C)C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 Show InChI InChI=1S/C20H25N3O3S/c1-13(2)23-15(4)20(24)22(5)18-11-8-16(12-19(18)23)21-27(25,26)17-9-6-14(3)7-10-17/h6-13,15,21H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276659 (CHEMBL4164777) Show SMILES CC1N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C22H27N3O3S/c1-15-8-11-19(12-9-15)29(27,28)23-17-10-13-20-21(14-17)25(18-6-4-5-7-18)16(2)22(26)24(20)3/h8-14,16,18,23H,4-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276607 (CHEMBL4163538) Show SMILES CCC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccccc1 Show InChI InChI=1S/C22H27N3O/c1-4-19(16-8-6-5-7-9-16)23-17-10-13-20-21(14-17)25(18-11-12-18)15(2)22(26)24(20)3/h5-10,13-15,18-19,23H,4,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276603 (CHEMBL4161760) Show SMILES CC1N(C2CC2)c2cc(NCc3ccccc3)ccc2N(C)C1=O Show InChI InChI=1S/C20H23N3O/c1-14-20(24)22(2)18-11-8-16(12-19(18)23(14)17-9-10-17)21-13-15-6-4-3-5-7-15/h3-8,11-12,14,17,21H,9-10,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276609 (CHEMBL4169033) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1 Show InChI InChI=1S/C20H23N3O4S/c1-13-20(24)22(2)18-11-4-14(12-19(18)23(13)15-5-6-15)21-28(25,26)17-9-7-16(27-3)8-10-17/h4,7-13,15,21H,5-6H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276613 (CHEMBL4170812) Show SMILES CCCC(Nc1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccccc1 Show InChI InChI=1S/C23H29N3O/c1-4-8-20(17-9-6-5-7-10-17)24-18-11-14-21-22(15-18)26(19-12-13-19)16(2)23(27)25(21)3/h5-7,9-11,14-16,19-20,24H,4,8,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276663 (CHEMBL4176466) Show SMILES CC(C)CN1C(C)C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 Show InChI InChI=1S/C21H27N3O3S/c1-14(2)13-24-16(4)21(25)23(5)19-11-8-17(12-20(19)24)22-28(26,27)18-9-6-15(3)7-10-18/h6-12,14,16,22H,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276611 (CHEMBL4172674) Show SMILES CCN1C(=O)C(C)N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12 Show InChI InChI=1S/C23H29N3O3S/c1-4-25-21-14-11-18(24-30(28,29)20-12-9-16(2)10-13-20)15-22(21)26(17(3)23(25)27)19-7-5-6-8-19/h9-15,17,19,24H,4-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276610 (CHEMBL4165856) Show SMILES COCCN1C(C)C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 Show InChI InChI=1S/C20H25N3O4S/c1-14-5-8-17(9-6-14)28(25,26)21-16-7-10-18-19(13-16)23(11-12-27-4)15(2)20(24)22(18)3/h5-10,13,15,21H,11-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276601 (CHEMBL4160220) Show SMILES C[C@@H]1N(C)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O |r| Show InChI InChI=1S/C18H21N3O3S/c1-12-5-8-15(9-6-12)25(23,24)19-14-7-10-16-17(11-14)20(3)13(2)18(22)21(16)4/h5-11,13,19H,1-4H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276608 (CHEMBL4165376) Show SMILES CCN(Cc1ccccc1)c1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1 Show InChI InChI=1S/C22H27N3O/c1-4-24(15-17-8-6-5-7-9-17)19-12-13-20-21(14-19)25(18-10-11-18)16(2)22(26)23(20)3/h5-9,12-14,16,18H,4,10-11,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276649 (CHEMBL4165196) Show SMILES CCN(C(=O)Oc1ccc(F)cc1)c1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1 Show InChI InChI=1S/C22H24FN3O3/c1-4-25(22(28)29-18-10-5-15(23)6-11-18)17-9-12-19-20(13-17)26(16-7-8-16)14(2)21(27)24(19)3/h5-6,9-14,16H,4,7-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276650 (CHEMBL4165602) Show SMILES CC1N(C2CC2)c2cc(NC(=O)Oc3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C21H23N3O3/c1-13-4-9-17(10-5-13)27-21(26)22-15-6-11-18-19(12-15)24(16-7-8-16)14(2)20(25)23(18)3/h4-6,9-12,14,16H,7-8H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276660 (CHEMBL4174264) Show SMILES CC1N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2NC1=O Show InChI InChI=1S/C21H25N3O3S/c1-14-7-10-18(11-8-14)28(26,27)23-16-9-12-19-20(13-16)24(15(2)21(25)22-19)17-5-3-4-6-17/h7-13,15,17,23H,3-6H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276614 (CHEMBL4167421) Show SMILES COc1ccccc1CN1C(C)C(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 Show InChI InChI=1S/C25H27N3O4S/c1-17-9-12-21(13-10-17)33(30,31)26-20-11-14-22-23(15-20)28(18(2)25(29)27(22)3)16-19-7-5-6-8-24(19)32-4/h5-15,18,26H,16H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276615 (CHEMBL4163999) Show SMILES COc1ccccc1Nc1ccc2N(C)C(=O)[C@H](C)N(C)c2c1 |r| Show InChI InChI=1S/C18H21N3O2/c1-12-18(22)21(3)15-10-9-13(11-16(15)20(12)2)19-14-7-5-6-8-17(14)23-4/h5-12,19H,1-4H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276651 (CHEMBL4176895) Show SMILES CC1N(C2CC2)c2nc(NS(=O)(=O)c3ccc(C)cc3)cnc2N(C)C1=O Show InChI InChI=1S/C18H21N5O3S/c1-11-4-8-14(9-5-11)27(25,26)21-15-10-19-16-17(20-15)23(13-6-7-13)12(2)18(24)22(16)3/h4-5,8-10,12-13H,6-7H2,1-3H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276604 (CHEMBL4161361) Show SMILES CC1N(CCN2CCOCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C23H30N4O4S/c1-17-4-7-20(8-5-17)32(29,30)24-19-6-9-21-22(16-19)27(18(2)23(28)25(21)3)11-10-26-12-14-31-15-13-26/h4-9,16,18,24H,10-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276656 (CHEMBL4169286) Show SMILES CC1N(CC2CCCO2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O Show InChI InChI=1S/C22H27N3O4S/c1-15-6-9-19(10-7-15)30(27,28)23-17-8-11-20-21(13-17)25(14-18-5-4-12-29-18)16(2)22(26)24(20)3/h6-11,13,16,18,23H,4-5,12,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276612 (CHEMBL4170835) Show SMILES CC[C@@H]1N(C)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-5-16-19(23)22(4)17-11-8-14(12-18(17)21(16)3)20-26(24,25)15-9-6-13(2)7-10-15/h6-12,16,20H,5H2,1-4H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276661 (CHEMBL4163584) Show SMILES CC[C@H]1N(C)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-5-16-19(23)22(4)17-11-8-14(12-18(17)21(16)3)20-26(24,25)15-9-6-13(2)7-10-15/h6-12,16,20H,5H2,1-4H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50276662 (CHEMBL4167448) Show SMILES C[C@@H]1N(C)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2N(C)C1=O |r| Show InChI InChI=1S/C17H18ClN3O3S/c1-11-17(22)21(3)14-9-8-12(10-15(14)20(11)2)19-25(23,24)16-7-5-4-6-13(16)18/h4-11,19H,1-3H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...				Eur J Med Chem 137: 176-195 (2017) Article DOI: 10.1016/j.ejmech.2017.05.049 BindingDB Entry DOI: 10.7270/Q2X069J5
					More data for this Ligand-Target Pair