Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50001223   

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))	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	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin)				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273481 (CHEMBL4125931) Show SMILES Cc1noc2C(CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |t:10| Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin)				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273482 (CHEMBL4127310) Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin)				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399434 (CHEMBL2179387) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin)				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					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	630	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin)				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273496 (CHEMBL4125924) Show SMILES Cn1c2ccc(NC(=O)c3cc4CCCc4s3)cc2n(C)c1=O Show InChI InChI=1S/C17H17N3O2S/c1-19-12-7-6-11(9-13(12)20(2)17(19)22)18-16(21)15-8-10-4-3-5-14(10)23-15/h6-9H,3-5H2,1-2H3,(H,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50032921 (CHEMBL1444120) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1 Show InChI InChI=1S/C17H19N3O3S/c1-11-5-8-16(12(2)9-11)24(22,23)18-13-6-7-14-15(10-13)20(4)17(21)19(14)3/h5-10,18H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273497 (CHEMBL4129632) Show SMILES Cn1cc(NC(=O)c2occc2COc2ccccc2)ccc1=O Show InChI InChI=1S/C18H16N2O4/c1-20-11-14(7-8-16(20)21)19-18(22)17-13(9-10-23-17)12-24-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273483 (CHEMBL4129169) Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 Show InChI InChI=1S/C21H19N3OS/c1-12-13(2)22-19-8-7-16(10-18(12)19)21(25)24-17-6-4-5-15(9-17)20-11-26-14(3)23-20/h4-11,22H,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50032911 (CHEMBL1535485) Show SMILES COc1cccc(c1)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1 Show InChI InChI=1S/C17H17N3O3/c1-19-14-8-7-12(10-15(14)20(2)17(19)22)18-16(21)11-5-4-6-13(9-11)23-3/h4-10H,1-3H3,(H,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273480 (CHEMBL4126342) Show SMILES COCCOc1ccccc1CNc1ccc2n(C)c(=O)n(C)c2c1 Show InChI InChI=1S/C19H23N3O3/c1-21-16-9-8-15(12-17(16)22(2)19(21)23)20-13-14-6-4-5-7-18(14)25-11-10-24-3/h4-9,12,20H,10-11,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50271103 (CHEMBL4129770) Show SMILES Cc1cc2cc(NC(=O)c3sc4nc(ccc4c3C)C(F)(F)F)ccc2[nH]1 Show InChI InChI=1S/C19H14F3N3OS/c1-9-7-11-8-12(3-5-14(11)23-9)24-17(26)16-10(2)13-4-6-15(19(20,21)22)25-18(13)27-16/h3-8,23H,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273493 (CHEMBL4127163) Show SMILES Cc1cc2cc(NC(=O)c3ccc(Oc4ccc(cn4)C(F)(F)F)cc3)ccc2[nH]1 Show InChI InChI=1S/C22H16F3N3O2/c1-13-10-15-11-17(5-8-19(15)27-13)28-21(29)14-2-6-18(7-3-14)30-20-9-4-16(12-26-20)22(23,24)25/h2-12,27H,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273495 (CHEMBL4127306) Show SMILES COc1ccc(OC)c(CCC(=O)Nc2ccc3n(C)c(=O)n(C)c3c2)c1 Show InChI InChI=1S/C20H23N3O4/c1-22-16-8-6-14(12-17(16)23(2)20(22)25)21-19(24)10-5-13-11-15(26-3)7-9-18(13)27-4/h6-9,11-12H,5,10H2,1-4H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50270480 (CHEMBL4126540) Show SMILES CC1CCCC(C)N1C(=O)CSc1nc2sc3CCCCc3c2c(=O)n1C Show InChI InChI=1S/C20H27N3O2S2/c1-12-7-6-8-13(2)23(12)16(24)11-26-20-21-18-17(19(25)22(20)3)14-9-4-5-10-15(14)27-18/h12-13H,4-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273479 (CHEMBL4128551) Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc2nc(sc2c1)N1CCCC1 Show InChI InChI=1S/C19H18N4O3S/c1-12-4-5-13(10-16(12)23(25)26)18(24)20-14-6-7-15-17(11-14)27-19(21-15)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50273484 (CHEMBL4127934) Show SMILES Clc1ccc2N(CCCOc3ccccc3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C17H14ClNO3/c18-12-7-8-15-14(11-12)16(20)17(21)19(15)9-4-10-22-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bienta/Enamine Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay				Bioorg Med Chem 26: 3399-3405 (2018) Article DOI: 10.1016/j.bmc.2018.05.010 BindingDB Entry DOI: 10.7270/Q2H70J9B
					More data for this Ligand-Target Pair