Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'shaw' and Initial = 'dl'   

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
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162519 ((2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOR...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162527 ((2S,4S,5R)-2-Isobutyl-5-thiazol-2-yl-1-(4-trifluor...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1nccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C21H21F3N2O5S/c1-11(2)9-20(19(30)31)10-14(18(28)29)15(16-25-7-8-32-16)26(20)17(27)12-3-5-13(6-4-12)21(22,23)24/h3-8,11,14-15H,9-10H2,1-2H3,(H,28,29)(H,30,31)/t14-,15+,20-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030895 (CHEMBL3356570) Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)C)-c1c(C)noc1C Show InChI InChI=1S/C21H23N5O2/c1-12(2)23-21-20(24-18-11-22-8-9-26(18)21)16-7-6-15(10-17(16)27-5)19-13(3)25-28-14(19)4/h6-12,23H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030910 (CHEMBL3356556) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C Show InChI InChI=1S/C22H24N4O/c1-14-19(15(2)27-25-14)16-9-11-17(12-10-16)20-21(24-22(3,4)5)26-13-7-6-8-18(26)23-20/h6-13,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162518 ((2S,4S,5S)-2-Isobutyl-5-isopropyl-1-(4-trifluorome...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@H](C(C)C)N1C(=O)c1ccc(cc1)C(F)(F)F)C(O)=O)C(O)=O Show InChI InChI=1S/C21H26F3NO5/c1-11(2)9-20(19(29)30)10-15(18(27)28)16(12(3)4)25(20)17(26)13-5-7-14(8-6-13)21(22,23)24/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,27,28)(H,29,30)/t15-,16-,20-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030896 (CHEMBL3356569) Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)(C)C)-c1c(C)noc1C Show InChI InChI=1S/C22H25N5O2/c1-13-19(14(2)29-26-13)15-7-8-16(17(11-15)28-6)20-21(25-22(3,4)5)27-10-9-23-12-18(27)24-20/h7-12,25H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162517 ((2S,4S,5R)-2-Isobutyl-5-thiophen-2-yl-1-(3-trifluo...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1cccc(c1)C(F)(F)F)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-7-4-8-32-16)26(21)18(27)13-5-3-6-14(9-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162531 ((2S,4S,5R)-1-(3,4-Dichloro-benzoyl)-2-isobutyl-5-t...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(Cl)c(Cl)c1)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C21H21Cl2NO5S/c1-11(2)9-21(20(28)29)10-13(19(26)27)17(16-4-3-7-30-16)24(21)18(25)12-5-6-14(22)15(23)8-12/h3-8,11,13,17H,9-10H2,1-2H3,(H,26,27)(H,28,29)/t13-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030894 (CHEMBL3356559) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3	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	637	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair				3D Structure (crystal)
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162513 ((2S,4S,5R)-2-(3-Methyl-butyl)-5-phenyl-1-(4-triflu...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H24F3NO5/c1-14(2)12-23(22(32)33)13-18(21(30)31)19(15-6-4-3-5-7-15)28(23)20(29)16-8-10-17(11-9-16)24(25,26)27/h3-11,14,18-19H,12-13H2,1-2H3,(H,30,31)(H,32,33)/t18-,19-,23-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162512 ((2S,4S,5R)-2-Isobutyl-1-(1,4,4a,8a-tetrahydro-naph...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1cccc2ccccc12)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H25NO5S/c1-15(2)13-25(24(30)31)14-19(23(28)29)21(20-11-6-12-32-20)26(25)22(27)18-10-5-8-16-7-3-4-9-17(16)18/h3-12,15,19,21H,13-14H2,1-2H3,(H,28,29)(H,30,31)/t19-,21+,25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162516 ((2S,4S,5R)-2-Isobutyl-5-pyridin-2-yl-1-(4-trifluor...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)C(O)=O)C(O)=O Show InChI InChI=1S/C23H23F3N2O5/c1-13(2)11-22(21(32)33)12-16(20(30)31)18(17-5-3-4-10-27-17)28(22)19(29)14-6-8-15(9-7-14)23(24,25)26/h3-10,13,16,18H,11-12H2,1-2H3,(H,30,31)(H,32,33)/t16-,18+,22-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162521 ((2S,4S,5R)-5-Furan-2-yl-2-isobutyl-1-(4-trifluorom...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1ccco1)C(O)=O)C(O)=O Show InChI InChI=1S/C22H22F3NO6/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030901 (CHEMBL3356564) Show SMILES CC(C)Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C20H21N5O/c1-12(2)22-20-19(23-17-11-21-9-10-25(17)20)16-7-5-15(6-8-16)18-13(3)24-26-14(18)4/h5-12,22H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	807	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030908 (CHEMBL3356558) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ncccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162510 ((2S,4S,5R)-5-(4-Chloro-phenyl)-2-isobutyl-1-(4-tri...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H23ClF3NO5/c1-13(2)11-23(22(33)34)12-18(21(31)32)19(14-5-9-17(25)10-6-14)29(23)20(30)15-3-7-16(8-4-15)24(26,27)28/h3-10,13,18-19H,11-12H2,1-2H3,(H,31,32)(H,33,34)/t18-,19-,23-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030920 (CHEMBL3356547) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C24H26N4O/c1-16-22(17(2)29-27-16)18-11-13-19(14-12-18)23-24(25-20-8-4-3-5-9-20)28-15-7-6-10-21(28)26-23/h6-7,10-15,20,25H,3-5,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	904	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030902 (CHEMBL3356563) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(cn2c1NC(C)(C)C)C(O)=O Show InChI InChI=1S/C23H24N4O3/c1-13-19(14(2)30-26-13)15-6-8-16(9-7-15)20-21(25-23(3,4)5)27-12-17(22(28)29)10-11-18(27)24-20/h6-12,25H,1-5H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	968	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162525 ((2S,4S,5R)-2-Isobutyl-5-p-tolyl-1-(4-trifluorometh...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1ccc(C)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H26F3NO5/c1-14(2)12-24(23(33)34)13-19(22(31)32)20(16-6-4-15(3)5-7-16)29(24)21(30)17-8-10-18(11-9-17)25(26,27)28/h4-11,14,19-20H,12-13H2,1-3H3,(H,31,32)(H,33,34)/t19-,20-,24-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030906 (CHEMBL3356560) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC(C)(C)C Show InChI InChI=1S/C22H23ClN4O/c1-13-19(14(2)28-26-13)15-6-8-16(9-7-15)20-21(25-22(3,4)5)27-12-17(23)10-11-18(27)24-20/h6-12,25H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030903 (CHEMBL3356562) Show SMILES COC(=O)c1ccc2nc(c(NC(C)(C)C)n2c1)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C24H26N4O3/c1-14-20(15(2)31-27-14)16-7-9-17(10-8-16)21-22(26-24(3,4)5)28-13-18(23(29)30-6)11-12-19(28)25-21/h7-13,26H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030900 (CHEMBL3356565) Show SMILES CCCCNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C21H23N5O/c1-4-5-10-23-21-20(24-18-13-22-11-12-26(18)21)17-8-6-16(7-9-17)19-14(2)25-27-15(19)3/h6-9,11-13,23H,4-5,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162509 ((2S,4S,5R)-1-(4-Chloro-benzoyl)-2-isobutyl-5-thiop...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(Cl)cc1)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C21H22ClNO5S/c1-12(2)10-21(20(27)28)11-15(19(25)26)17(16-4-3-9-29-16)23(21)18(24)13-5-7-14(22)8-6-13/h3-9,12,15,17H,10-11H2,1-2H3,(H,25,26)(H,27,28)/t15-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030932 (CHEMBL3356132) Show SMILES Cc1noc(C)c1-c1ccc(C=O)cc1 Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030931 (CHEMBL3356133) Show SMILES CC(=O)c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162530 ((2R,4S,5R)-2-Benzyl-5-phenyl-1-(4-trifluoromethyl-...) Show SMILES OC(=O)[C@H]1C[C@](Cc2ccccc2)(N([C@H]1c1ccccc1)C(=O)c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C27H22F3NO5/c28-27(29,30)20-13-11-19(12-14-20)23(32)31-22(18-9-5-2-6-10-18)21(24(33)34)16-26(31,25(35)36)15-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2,(H,33,34)(H,35,36)/t21-,22-,26-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030926 (CHEMBL3356541) Show SMILES Cc1noc(C)c1-c1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)OC2 |c:25| Show InChI InChI=1S/C22H19N3O3/c1-12-19(13(2)28-25-12)14-6-5-7-15(10-14)21-20-18(11-27-22(20)26)23-16-8-3-4-9-17(16)24-21/h3-10,21,23-24H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030919 (CHEMBL3356548) Show SMILES COc1ccc(Nc2c(nc3ccccn23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C25H22N4O2/c1-16-23(17(2)31-28-16)18-7-9-19(10-8-18)24-25(29-15-5-4-6-22(29)27-24)26-20-11-13-21(30-3)14-12-20/h4-15,26H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030915 (CHEMBL3356552) Show SMILES C[C@H](Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C)c1ccccc1 |r| Show InChI InChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030917 (CHEMBL3356550) Show SMILES COc1ccc(Nc2c(nc3cc(OC)ncn23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C25H23N5O3/c1-15-23(16(2)33-29-15)17-5-7-18(8-6-17)24-25(27-19-9-11-20(31-3)12-10-19)30-14-26-22(32-4)13-21(30)28-24/h5-14,27H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030905 (CHEMBL3352858) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(C)cn2c1NC(C)(C)C Show InChI InChI=1S/C23H26N4O/c1-14-7-12-19-24-21(22(27(19)13-14)25-23(4,5)6)18-10-8-17(9-11-18)20-15(2)26-28-16(20)3/h7-13,25H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162520 ((2S,4S,5R)-2-Isobutyl-1-(4-nitro-benzoyl)-5-thioph...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)[N+]([O-])=O)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C21H22N2O7S/c1-12(2)10-21(20(27)28)11-15(19(25)26)17(16-4-3-9-31-16)22(21)18(24)13-5-7-14(8-6-13)23(29)30/h3-9,12,15,17H,10-11H2,1-2H3,(H,25,26)(H,27,28)/t15-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162524 ((2S,4S,5R)-2-Butyl-5-phenyl-1-(4-trifluoromethyl-b...) Show SMILES CCCC[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H24F3NO5/c1-2-3-13-23(22(32)33)14-18(21(30)31)19(15-7-5-4-6-8-15)28(23)20(29)16-9-11-17(12-10-16)24(25,26)27/h4-12,18-19H,2-3,13-14H2,1H3,(H,30,31)(H,32,33)/t18-,19-,23-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030924 (CHEMBL3356543) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1N Show InChI InChI=1S/C18H16N4O/c1-11-16(12(2)23-21-11)13-6-8-14(9-7-13)17-18(19)22-10-4-3-5-15(22)20-17/h3-10H,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030913 (CHEMBL3356554) Show SMILES CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C Show InChI InChI=1S/C21H21N5O3/c1-4-28-18(27)12-23-21-20(24-17-11-22-9-10-26(17)21)16-7-5-15(6-8-16)19-13(2)25-29-14(19)3/h5-11,23H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030911 (CHEMBL3356555) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCC(=O)OC(C)(C)C Show InChI InChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162529 ((2S,4S,5R)-2-Isobutyl-5-(2-methoxy-phenyl)-1-(4-tr...) Show SMILES COc1ccccc1[C@H]1[C@H](C[C@](CC(C)C)(N1C(=O)c1ccc(cc1)C(F)(F)F)C(O)=O)C(O)=O Show InChI InChI=1S/C25H26F3NO6/c1-14(2)12-24(23(33)34)13-18(22(31)32)20(17-6-4-5-7-19(17)35-3)29(24)21(30)15-8-10-16(11-9-15)25(26,27)28/h4-11,14,18,20H,12-13H2,1-3H3,(H,31,32)(H,33,34)/t18-,20-,24-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162508 ((2S,4S)-1-(4-Trifluoromethyl-benzoyl)-pyrrolidine-...) Show SMILES OC(=O)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C14H12F3NO5/c15-14(16,17)9-3-1-7(2-4-9)11(19)18-6-8(12(20)21)5-10(18)13(22)23/h1-4,8,10H,5-6H2,(H,20,21)(H,22,23)/t8-,10-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030916 (CHEMBL3356551) Show SMILES COc1ccc(Nc2c(nn3ccncc23)-c2ccc(cc2)-c2c(C)noc2C)cc1 Show InChI InChI=1S/C24H21N5O2/c1-15-22(16(2)31-28-15)17-4-6-18(7-5-17)23-24(21-14-25-12-13-29(21)27-23)26-19-8-10-20(30-3)11-9-19/h4-14,26H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030933 (CHEMBL3356131) Show SMILES Cc1noc(C)c1-c1cccc(C=O)c1 Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-4-10(6-11)7-14/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030929 (CHEMBL3356135) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1 Show InChI InChI=1S/C25H22N4O/c1-17-23(18(2)30-28-17)20-11-13-21(14-12-20)24-25(26-16-19-8-4-3-5-9-19)29-15-7-6-10-22(29)27-24/h3-15,26H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162523 ((2S,4S,5R)-1-Benzoyl-2-isobutyl-5-thiophen-2-yl-py...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccccc1)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C21H23NO5S/c1-13(2)11-21(20(26)27)12-15(19(24)25)17(16-9-6-10-28-16)22(21)18(23)14-7-4-3-5-8-14/h3-10,13,15,17H,11-12H2,1-2H3,(H,24,25)(H,26,27)/t15-,17+,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030922 (CHEMBL3356545) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NCc1ccccc1 Show InChI InChI=1S/C25H21ClN4O/c1-16-23(17(2)31-29-16)19-8-10-20(11-9-19)24-25(27-14-18-6-4-3-5-7-18)30-15-21(26)12-13-22(30)28-24/h3-13,15,27H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030904 (CHEMBL3356561) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2c(cccn2c1NC(C)(C)C)C(F)(F)F Show InChI InChI=1S/C23H23F3N4O/c1-13-18(14(2)31-29-13)15-8-10-16(11-9-15)19-21(28-22(3,4)5)30-12-6-7-17(20(30)27-19)23(24,25)26/h6-12,28H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162533 ((2S,4S)-1-(3,4-Dichloro-benzoyl)-pyrrolidine-2,4-d...) Show SMILES OC(=O)[C@H]1C[C@H](N(C1)C(=O)c1ccc(Cl)c(Cl)c1)C(O)=O Show InChI InChI=1S/C13H11Cl2NO5/c14-8-2-1-6(3-9(8)15)11(17)16-5-7(12(18)19)4-10(16)13(20)21/h1-3,7,10H,4-5H2,(H,18,19)(H,20,21)/t7-,10-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030898 (CHEMBL3356567) Show SMILES Cc1noc(C)c1-c1ccc(nc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)14-6-7-15(22-10-14)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030927 (CHEMBL3356137) Show SMILES CCCCN1C(c2ccc(-c3c(C)noc3C)c(OC)c2)C(=O)Nc2ccccc2C1=O |(45.11,-15.4,;44.56,-16.84,;45.51,-18.05,;44.95,-19.48,;45.91,-20.68,;45.24,-22.07,;43.7,-22.07,;42.93,-20.74,;41.39,-20.74,;40.62,-22.07,;39.08,-22.07,;38.18,-20.83,;38.65,-19.36,;36.72,-21.3,;36.72,-22.84,;38.18,-23.31,;38.65,-24.78,;41.39,-23.4,;40.62,-24.73,;41.39,-26.07,;42.93,-23.4,;45.91,-23.46,;44.95,-24.66,;47.41,-23.8,;48.61,-22.84,;49.95,-23.61,;51.29,-22.84,;51.29,-21.3,;49.95,-20.53,;48.61,-21.3,;47.41,-20.34,;47.75,-18.84,)| Show InChI InChI=1S/C25H27N3O4/c1-5-6-13-28-23(24(29)26-20-10-8-7-9-18(20)25(28)30)17-11-12-19(21(14-17)31-4)22-15(2)27-32-16(22)3/h7-12,14,23H,5-6,13H2,1-4H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030897 (CHEMBL3356568) Show SMILES Cc1noc(C)c1-c1ccc(cc1F)-c1nc2cnccn2c1NC(C)(C)C |(7.65,-53.99,;7.17,-55.45,;5.7,-55.93,;5.7,-57.47,;7.17,-57.95,;7.65,-59.41,;8.08,-56.7,;9.62,-56.7,;10.39,-55.36,;11.93,-55.36,;12.7,-56.7,;11.93,-58.03,;10.39,-58.03,;9.62,-59.36,;14.24,-56.7,;15.14,-57.95,;16.61,-57.47,;17.94,-58.24,;19.27,-57.47,;19.27,-55.93,;17.94,-55.16,;16.61,-55.93,;15.14,-55.45,;14.66,-53.99,;15.7,-52.84,;15.29,-51.36,;16.73,-51.7,;17.18,-53.24,)| Show InChI InChI=1S/C21H22FN5O/c1-12-18(13(2)28-26-12)15-7-6-14(10-16(15)22)19-20(25-21(3,4)5)27-9-8-23-11-17(27)24-19/h6-11,25H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030930 (CHEMBL3356134) Show SMILES CCOC(=O)C(C)N(Cc1ccc(cc1)-c1c(C)noc1C)C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N2O5/c1-6-31-25(29)17(3)27(24(28)21-11-13-22(30-5)14-12-21)15-19-7-9-20(10-8-19)23-16(2)26-32-18(23)4/h7-14,17H,6,15H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162511 ((2S,4S,5R)-2-Isobutyl-5-thiophen-2-yl-1-(4-trifluo...) Show SMILES CC(C)C[C@]1(C[C@@H]([C@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1cccs1)C(O)=O)C(O)=O Show InChI InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17-,21-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B				Bioorg Med Chem Lett 15: 1553-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.076 BindingDB Entry DOI: 10.7270/Q269732C
					More data for this Ligand-Target Pair

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