Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'damaneh' and Initial = 'ms'   

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))	BDBM50530517 (CHEMBL4550548 | US11078188, Example 16) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)c(F)c1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C30H36FN7O2/c1-19-9-11-23(18-24(19)31)38-28(32-27(33-38)30(40)36-15-13-34(3)14-16-36)21-10-12-25-26(17-21)37(22-7-5-6-8-22)20(2)29(39)35(25)4/h9-12,17-18,20,22H,5-8,13-16H2,1-4H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530517 (CHEMBL4550548 | US11078188, Example 16) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)c(F)c1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C30H36FN7O2/c1-19-9-11-23(18-24(19)31)38-28(32-27(33-38)30(40)36-15-13-34(3)14-16-36)21-10-12-25-26(17-21)37(22-7-5-6-8-22)20(2)29(39)35(25)4/h9-12,17-18,20,22H,5-8,13-16H2,1-4H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530516 (CHEMBL4587000 | US11078188, Example 9) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1C)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C31H39N7O2/c1-20-10-12-25(21(2)18-20)38-29(32-28(33-38)31(40)36-16-14-34(4)15-17-36)23-11-13-26-27(19-23)37(24-8-6-7-9-24)22(3)30(39)35(26)5/h10-13,18-19,22,24H,6-9,14-17H2,1-5H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530516 (CHEMBL4587000 | US11078188, Example 9) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1C)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C31H39N7O2/c1-20-10-12-25(21(2)18-20)38-29(32-28(33-38)31(40)36-16-14-34(4)15-17-36)23-11-13-26-27(19-23)37(24-8-6-7-9-24)22(3)30(39)35(26)5/h10-13,18-19,22,24H,6-9,14-17H2,1-5H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530502 (CHEMBL4449874 | US11078188, Example 19) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H39N7O2/c1-21-10-13-25(14-11-21)38-29(32-28(33-38)31(40)36-17-7-16-34(3)18-19-36)23-12-15-26-27(20-23)37(24-8-5-6-9-24)22(2)30(39)35(26)4/h10-15,20,22,24H,5-9,16-19H2,1-4H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530513 (CHEMBL4583525 | US11078188, Example 14) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CC2CCC(C1)N2C |r,TLB:40:39:35.36:32.33.38| Show InChI InChI=1S/C32H39N7O2/c1-20-9-12-24(13-10-20)39-30(33-29(34-39)32(41)37-18-25-14-15-26(19-37)35(25)3)22-11-16-27-28(17-22)38(23-7-5-6-8-23)21(2)31(40)36(27)4/h9-13,16-17,21,23,25-26H,5-8,14-15,18-19H2,1-4H3/t21-,25?,26?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530502 (CHEMBL4449874 | US11078188, Example 19) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H39N7O2/c1-21-10-13-25(14-11-21)38-29(32-28(33-38)31(40)36-17-7-16-34(3)18-19-36)23-12-15-26-27(20-23)37(24-8-5-6-9-24)22(2)30(39)35(26)4/h10-15,20,22,24H,5-9,16-19H2,1-4H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530513 (CHEMBL4583525 | US11078188, Example 14) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CC2CCC(C1)N2C |r,TLB:40:39:35.36:32.33.38| Show InChI InChI=1S/C32H39N7O2/c1-20-9-12-24(13-10-20)39-30(33-29(34-39)32(41)37-18-25-14-15-26(19-37)35(25)3)22-11-16-27-28(17-22)38(23-7-5-6-8-23)21(2)31(40)36(27)4/h9-13,16-17,21,23,25-26H,5-8,14-15,18-19H2,1-4H3/t21-,25?,26?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530512 (CHEMBL4518804 | US11078188, Example 15) Show SMILES CC(C)N1CCN(CC1)C(=O)c1nc(-c2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3c2)n(n1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C32H41N7O2/c1-21(2)36-16-18-37(19-17-36)32(41)29-33-30(39(34-29)26-13-10-22(3)11-14-26)24-12-15-27-28(20-24)38(25-8-6-7-9-25)23(4)31(40)35(27)5/h10-15,20-21,23,25H,6-9,16-19H2,1-5H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530512 (CHEMBL4518804 | US11078188, Example 15) Show SMILES CC(C)N1CCN(CC1)C(=O)c1nc(-c2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3c2)n(n1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C32H41N7O2/c1-21(2)36-16-18-37(19-17-36)32(41)29-33-30(39(34-29)26-13-10-22(3)11-14-26)24-12-15-27-28(20-24)38(25-8-6-7-9-25)23(4)31(40)35(27)5/h10-15,20-21,23,25H,6-9,16-19H2,1-5H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530519 (CHEMBL4463165 | US11078188, Example 32) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nnc(C)n1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H29N5O/c1-16-9-12-21(13-10-16)30-18(3)26-27-24(30)19-11-14-22-23(15-19)29(20-7-5-6-8-20)17(2)25(31)28(22)4/h9-15,17,20H,5-8H2,1-4H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530519 (CHEMBL4463165 | US11078188, Example 32) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nnc(C)n1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H29N5O/c1-16-9-12-21(13-10-16)30-18(3)26-27-24(30)19-11-14-22-23(15-19)29(20-7-5-6-8-20)17(2)25(31)28(22)4/h9-15,17,20H,5-8H2,1-4H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530521 (CHEMBL4451357 | US11078188, Example 12) Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1nc(-c2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3c2)n(n1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C31H39N7O2/c1-19-10-13-25(14-11-19)38-29(33-28(34-38)31(40)36-17-20(2)32-21(3)18-36)23-12-15-26-27(16-23)37(24-8-6-7-9-24)22(4)30(39)35(26)5/h10-16,20-22,24,32H,6-9,17-18H2,1-5H3/t20-,21+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530521 (CHEMBL4451357 | US11078188, Example 12) Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1nc(-c2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3c2)n(n1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C31H39N7O2/c1-19-10-13-25(14-11-19)38-29(33-28(34-38)31(40)36-17-20(2)32-21(3)18-36)23-12-15-26-27(16-23)37(24-8-6-7-9-24)22(4)30(39)35(26)5/h10-16,20-22,24,32H,6-9,17-18H2,1-5H3/t20-,21+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530501 (CHEMBL4573400 | US11078188, Example 6) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37N7O2/c1-20-9-12-24(13-10-20)37-28(31-27(32-37)30(39)35-17-15-33(3)16-18-35)22-11-14-25-26(19-22)36(23-7-5-6-8-23)21(2)29(38)34(25)4/h9-14,19,21,23H,5-8,15-18H2,1-4H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530501 (CHEMBL4573400 | US11078188, Example 6) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37N7O2/c1-20-9-12-24(13-10-20)37-28(31-27(32-37)30(39)35-17-15-33(3)16-18-35)22-11-14-25-26(19-22)36(23-7-5-6-8-23)21(2)29(38)34(25)4/h9-14,19,21,23H,5-8,15-18H2,1-4H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530506 (CHEMBL4578490) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nnc(C)n1-c1ccc(C)cc1 Show InChI InChI=1S/C23H25N5O/c1-14-5-8-19(9-6-14)28-16(3)24-25-22(28)17-7-12-20-21(13-17)27(18-10-11-18)15(2)23(29)26(20)4/h5-9,12-13,15,18H,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530506 (CHEMBL4578490) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nnc(C)n1-c1ccc(C)cc1 Show InChI InChI=1S/C23H25N5O/c1-14-5-8-19(9-6-14)28-16(3)24-25-22(28)17-7-12-20-21(13-17)27(18-10-11-18)15(2)23(29)26(20)4/h5-9,12-13,15,18H,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530511 (CHEMBL4561468 | US11078188, Example 10) Show SMILES CCN1CCN(CC1)C(=O)c1nc(-c2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3c2)n(n1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C31H39N7O2/c1-5-35-16-18-36(19-17-35)31(40)28-32-29(38(33-28)25-13-10-21(2)11-14-25)23-12-15-26-27(20-23)37(24-8-6-7-9-24)22(3)30(39)34(26)4/h10-15,20,22,24H,5-9,16-19H2,1-4H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530511 (CHEMBL4561468 | US11078188, Example 10) Show SMILES CCN1CCN(CC1)C(=O)c1nc(-c2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3c2)n(n1)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C31H39N7O2/c1-5-35-16-18-36(19-17-35)31(40)28-32-29(38(33-28)25-13-10-21(2)11-14-25)23-12-15-26-27(20-23)37(24-8-6-7-9-24)22(3)30(39)34(26)4/h10-15,20,22,24H,5-9,16-19H2,1-4H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530520 (CHEMBL4445973 | US11078188, Example 11) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C32H39N7O2/c1-21-8-11-26(12-9-21)39-30(33-29(34-39)32(41)37-18-16-36(17-19-37)24-13-14-24)23-10-15-27-28(20-23)38(25-6-4-5-7-25)22(2)31(40)35(27)3/h8-12,15,20,22,24-25H,4-7,13-14,16-19H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530520 (CHEMBL4445973 | US11078188, Example 11) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C32H39N7O2/c1-21-8-11-26(12-9-21)39-30(33-29(34-39)32(41)37-18-16-36(17-19-37)24-13-14-24)23-10-15-27-28(20-23)38(25-6-4-5-7-25)22(2)31(40)35(27)3/h8-12,15,20,22,24-25H,4-7,13-14,16-19H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530522 (CHEMBL4582401 | US11078188, Example 24) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1C[C@@H](N)C2(CC2)C1 |r| Show InChI InChI=1S/C31H37N7O2/c1-19-8-11-23(12-9-19)38-28(33-27(34-38)30(40)36-17-26(32)31(18-36)14-15-31)21-10-13-24-25(16-21)37(22-6-4-5-7-22)20(2)29(39)35(24)3/h8-13,16,20,22,26H,4-7,14-15,17-18,32H2,1-3H3/t20-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530522 (CHEMBL4582401 | US11078188, Example 24) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1C[C@@H](N)C2(CC2)C1 |r| Show InChI InChI=1S/C31H37N7O2/c1-19-8-11-23(12-9-19)38-28(33-27(34-38)30(40)36-17-26(32)31(18-36)14-15-31)21-10-13-24-25(16-21)37(22-6-4-5-7-22)20(2)29(39)35(24)3/h8-13,16,20,22,26H,4-7,14-15,17-18,32H2,1-3H3/t20-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530514 (CHEMBL4553774 | US11078188, Example 18) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C32H39N7O2/c1-20-9-12-24(13-10-20)39-30(33-29(34-39)32(41)38-25-14-15-26(38)19-35(3)18-25)22-11-16-27-28(17-22)37(23-7-5-6-8-23)21(2)31(40)36(27)4/h9-13,16-17,21,23,25-26H,5-8,14-15,18-19H2,1-4H3/t21-,25?,26?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530514 (CHEMBL4553774 | US11078188, Example 18) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C32H39N7O2/c1-20-9-12-24(13-10-20)39-30(33-29(34-39)32(41)38-25-14-15-26(38)19-35(3)18-25)22-11-16-27-28(17-22)37(23-7-5-6-8-23)21(2)31(40)36(27)4/h9-13,16-17,21,23,25-26H,5-8,14-15,18-19H2,1-4H3/t21-,25?,26?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530518 (CHEMBL4441607) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(Cl)cc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C29H34ClN7O2/c1-19-28(38)34(3)24-13-8-20(18-25(24)36(19)22-6-4-5-7-22)27-31-26(29(39)35-16-14-33(2)15-17-35)32-37(27)23-11-9-21(30)10-12-23/h8-13,18-19,22H,4-7,14-17H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530518 (CHEMBL4441607) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(Cl)cc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C29H34ClN7O2/c1-19-28(38)34(3)24-13-8-20(18-25(24)36(19)22-6-4-5-7-22)27-31-26(29(39)35-16-14-33(2)15-17-35)32-37(27)23-11-9-21(30)10-12-23/h8-13,18-19,22H,4-7,14-17H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530510 (CHEMBL4577433 | US11078188, Example 13) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N(C)CCN(C)C |r| Show InChI InChI=1S/C30H39N7O2/c1-20-11-14-24(15-12-20)37-28(31-27(32-37)30(39)34(5)18-17-33(3)4)22-13-16-25-26(19-22)36(23-9-7-8-10-23)21(2)29(38)35(25)6/h11-16,19,21,23H,7-10,17-18H2,1-6H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530510 (CHEMBL4577433 | US11078188, Example 13) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N(C)CCN(C)C |r| Show InChI InChI=1S/C30H39N7O2/c1-20-11-14-24(15-12-20)37-28(31-27(32-37)30(39)34(5)18-17-33(3)4)22-13-16-25-26(19-22)36(23-9-7-8-10-23)21(2)29(38)35(25)6/h11-16,19,21,23H,7-10,17-18H2,1-6H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530503 (CHEMBL4452579 | US11078188, Example 7) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccccc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C29H35N7O2/c1-20-28(37)33(3)24-14-13-21(19-25(24)35(20)22-9-7-8-10-22)27-30-26(29(38)34-17-15-32(2)16-18-34)31-36(27)23-11-5-4-6-12-23/h4-6,11-14,19-20,22H,7-10,15-18H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530503 (CHEMBL4452579 | US11078188, Example 7) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccccc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C29H35N7O2/c1-20-28(37)33(3)24-14-13-21(19-25(24)35(20)22-9-7-8-10-22)27-30-26(29(38)34-17-15-32(2)16-18-34)31-36(27)23-11-5-4-6-12-23/h4-6,11-14,19-20,22H,7-10,15-18H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530500 (CHEMBL4584184 | US11078188, Example 21) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCC2(CCOC2)CC1 |r| Show InChI InChI=1S/C33H40N6O3/c1-22-8-11-26(12-9-22)39-30(34-29(35-39)32(41)37-17-14-33(15-18-37)16-19-42-21-33)24-10-13-27-28(20-24)38(25-6-4-5-7-25)23(2)31(40)36(27)3/h8-13,20,23,25H,4-7,14-19,21H2,1-3H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530500 (CHEMBL4584184 | US11078188, Example 21) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCC2(CCOC2)CC1 |r| Show InChI InChI=1S/C33H40N6O3/c1-22-8-11-26(12-9-22)39-30(34-29(35-39)32(41)37-17-14-33(15-18-37)16-19-42-21-33)24-10-13-27-28(20-24)38(25-6-4-5-7-25)23(2)31(40)36(27)3/h8-13,20,23,25H,4-7,14-19,21H2,1-3H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530505 (CHEMBL4585487) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nncn1-c1ccc(C)cc1 Show InChI InChI=1S/C22H23N5O/c1-14-4-7-17(8-5-14)26-13-23-24-21(26)16-6-11-19-20(12-16)27(18-9-10-18)15(2)22(28)25(19)3/h4-8,11-13,15,18H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530505 (CHEMBL4585487) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nncn1-c1ccc(C)cc1 Show InChI InChI=1S/C22H23N5O/c1-14-4-7-17(8-5-14)26-13-23-24-21(26)16-6-11-19-20(12-16)27(18-9-10-18)15(2)22(28)25(19)3/h4-8,11-13,15,18H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530525 (CHEMBL4454674 | US11078188, Example 22) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN2CCCC2C1 |r| Show InChI InChI=1S/C32H39N7O2/c1-21-10-13-25(14-11-21)39-30(33-29(34-39)32(41)37-18-17-36-16-6-9-26(36)20-37)23-12-15-27-28(19-23)38(24-7-4-5-8-24)22(2)31(40)35(27)3/h10-15,19,22,24,26H,4-9,16-18,20H2,1-3H3/t22-,26?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530525 (CHEMBL4454674 | US11078188, Example 22) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN2CCCC2C1 |r| Show InChI InChI=1S/C32H39N7O2/c1-21-10-13-25(14-11-21)39-30(33-29(34-39)32(41)37-18-17-36-16-6-9-26(36)20-37)23-12-15-27-28(19-23)38(24-7-4-5-8-24)22(2)31(40)35(27)3/h10-15,19,22,24,26H,4-9,16-18,20H2,1-3H3/t22-,26?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530509 (CHEMBL4556261 | US11078188, Example 33) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N7O2/c1-18-5-8-22(9-6-18)35-26(29-25(30-35)28(37)33-15-13-31(3)14-16-33)20-7-12-23-24(17-20)34(21-10-11-21)19(2)27(36)32(23)4/h5-9,12,17,19,21H,10-11,13-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530509 (CHEMBL4556261 | US11078188, Example 33) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N7O2/c1-18-5-8-22(9-6-18)35-26(29-25(30-35)28(37)33-15-13-31(3)14-16-33)20-7-12-23-24(17-20)34(21-10-11-21)19(2)27(36)32(23)4/h5-9,12,17,19,21H,10-11,13-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530504 (CHEMBL4537909 | US11078188, Example 4) Show SMILES CC1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nnnn1-c1ccc(C)cc1 Show InChI InChI=1S/C23H26N6O/c1-15-8-11-19(12-9-15)29-22(24-25-26-29)17-10-13-20-21(14-17)28(18-6-4-5-7-18)16(2)23(30)27(20)3/h8-14,16,18H,4-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530504 (CHEMBL4537909 | US11078188, Example 4) Show SMILES CC1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nnnn1-c1ccc(C)cc1 Show InChI InChI=1S/C23H26N6O/c1-15-8-11-19(12-9-15)29-22(24-25-26-29)17-10-13-20-21(14-17)28(18-6-4-5-7-18)16(2)23(30)27(20)3/h8-14,16,18H,4-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530523 (CHEMBL4445310 | US11078188, Example 23) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 |r| Show InChI InChI=1S/C36H45N7O4/c1-22-11-14-26(15-12-22)43-31(24-13-16-27-28(19-24)42(25-9-7-8-10-25)23(2)32(44)40(27)6)38-30(39-43)33(45)41-20-29(36(21-41)17-18-36)37-34(46)47-35(3,4)5/h11-16,19,23,25,29H,7-10,17-18,20-21H2,1-6H3,(H,37,46)/t23-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530523 (CHEMBL4445310 | US11078188, Example 23) Show SMILES C[C@H]1N(C2CCCC2)c2cc(ccc2N(C)C1=O)-c1nc(nn1-c1ccc(C)cc1)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 |r| Show InChI InChI=1S/C36H45N7O4/c1-22-11-14-26(15-12-22)43-31(24-13-16-27-28(19-24)42(25-9-7-8-10-25)23(2)32(44)40(27)6)38-30(39-43)33(45)41-20-29(36(21-41)17-18-36)37-34(46)47-35(3,4)5/h11-16,19,23,25,29H,7-10,17-18,20-21H2,1-6H3,(H,37,46)/t23-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50458400 (CHEMBL4212712) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)C(=O)N(C)c1ccccc1 Show InChI InChI=1S/C21H23N3O2/c1-14-20(25)23(3)18-12-9-15(13-19(18)24(14)17-10-11-17)21(26)22(2)16-7-5-4-6-8-16/h4-9,12-14,17H,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of FITC-JQ1 from His6-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence ani...				Eur J Med Chem 150: 156-175 (2018) Article DOI: 10.1016/j.ejmech.2018.02.070 BindingDB Entry DOI: 10.7270/Q2J105RV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50458378 (CHEMBL4207810) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)C(=O)N(C)c1ccc(C)cc1 Show InChI InChI=1S/C22H25N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h5-9,12-13,15,18H,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	11	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of FITC-JQ1 from His6-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence ani...				Eur J Med Chem 150: 156-175 (2018) Article DOI: 10.1016/j.ejmech.2018.02.070 BindingDB Entry DOI: 10.7270/Q2J105RV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50458399 (CHEMBL4208320) Show SMILES CCN(C(=O)c1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1)c1ccc(C)cc1 Show InChI InChI=1S/C23H27N3O2/c1-5-25(18-9-6-15(2)7-10-18)23(28)17-8-13-20-21(14-17)26(19-11-12-19)16(3)22(27)24(20)4/h6-10,13-14,16,19H,5,11-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of FITC-JQ1 from His6-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence ani...				Eur J Med Chem 150: 156-175 (2018) Article DOI: 10.1016/j.ejmech.2018.02.070 BindingDB Entry DOI: 10.7270/Q2J105RV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530524 (CHEMBL4585185) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nnnn1-c1ccc(C)cc1 Show InChI InChI=1S/C21H22N6O/c1-13-4-7-17(8-5-13)27-20(22-23-24-27)15-6-11-18-19(12-15)26(16-9-10-16)14(2)21(28)25(18)3/h4-8,11-12,14,16H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50530524 (CHEMBL4585185) Show SMILES CC1N(C2CC2)c2cc(ccc2N(C)C1=O)-c1nnnn1-c1ccc(C)cc1 Show InChI InChI=1S/C21H22N6O/c1-13-4-7-17(8-5-13)27-20(22-23-24-27)15-6-11-18-19(12-15)26(16-9-10-16)14(2)21(28)25(18)3/h4-8,11-12,14,16H,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incu...				J Med Chem 62: 8642-8663 (2019) Article DOI: 10.1021/acs.jmedchem.9b01094 BindingDB Entry DOI: 10.7270/Q2BC4308
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50458397 (CHEMBL4207666) Show SMILES CC1CCC(CC1)N(C)C(=O)c1ccc2N(C)C(=O)C(C)N(C3CC3)c2c1 |(33.38,-33.25,;34.72,-32.49,;34.73,-30.95,;36.06,-30.18,;37.39,-30.96,;37.39,-32.5,;36.05,-33.26,;38.72,-30.2,;38.72,-28.66,;40.05,-30.97,;40.05,-32.51,;41.39,-30.2,;41.39,-28.65,;42.72,-27.88,;44.05,-28.65,;45.39,-27.87,;45.39,-26.33,;46.73,-28.65,;48.06,-27.88,;46.72,-30.2,;48.06,-30.97,;45.38,-30.96,;45.38,-32.5,;44.62,-33.83,;46.16,-33.83,;44.05,-30.19,;42.72,-30.97,)| Show InChI InChI=1S/C22H31N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h7,12-15,17-18H,5-6,8-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of FITC-JQ1 from His6-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence ani...				Eur J Med Chem 150: 156-175 (2018) Article DOI: 10.1016/j.ejmech.2018.02.070 BindingDB Entry DOI: 10.7270/Q2J105RV
					More data for this Ligand-Target Pair

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