Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50045620   

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))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071321 (CHEMBL3410000) Show SMILES Cc1c(Br)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C15H17BrN2O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5H2,1H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071105 (CHEMBL3410003) Show SMILES O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1 Show InChI InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071101 (CHEMBL3410007) Show SMILES O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)c1cccs1 Show InChI InChI=1S/C19H19N3O4S3/c23-18(17-6-3-7-27-17)20-14-8-12(16-11-28-19(24)21-16)9-15(10-14)29(25,26)22-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071272 (CHEMBL3409996) Show SMILES Nc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C14H17N3O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4,15H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071106 (CHEMBL3410002) Show SMILES Cc1c(N)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071103 (CHEMBL3410005) Show SMILES CCCC(=O)Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C18H23N3O4S2/c1-2-5-17(22)19-14-8-12(16-11-26-18(23)20-16)9-15(10-14)27(24,25)21-13-6-3-4-7-13/h8-11,13,21H,2-7H2,1H3,(H,19,22)(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071203 (CHEMBL3409992) Show SMILES Cc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C15H18N2O3S2/c1-10-6-7-11(13-9-21-15(18)16-13)8-14(10)22(19,20)17-12-4-2-3-5-12/h6-9,12,17H,2-5H2,1H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071104 (CHEMBL3410004) Show SMILES Cc1c(NC(=O)C2CC2)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C19H23N3O4S2/c1-11-15(20-18(23)12-6-7-12)8-13(16-10-27-19(24)21-16)9-17(11)28(25,26)22-14-4-2-3-5-14/h8-10,12,14,22H,2-7H2,1H3,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071099 (CHEMBL3410009) Show SMILES CNc1cc(cc(c1C)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C16H21N3O3S2/c1-10-13(17-2)7-11(14-9-23-16(20)18-14)8-15(10)24(21,22)19-12-5-3-4-6-12/h7-9,12,17,19H,3-6H2,1-2H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071270 (CHEMBL3409994) Show SMILES Clc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD3 (unknown origin) by fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071275 (CHEMBL3409999) Show SMILES Brc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C14H15BrN2O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071273 (CHEMBL3409997) Show SMILES COCC(=O)Nc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C17H21N3O5S2/c1-25-9-16(21)18-13-7-6-11(14-10-26-17(22)19-14)8-15(13)27(23,24)20-12-4-2-3-5-12/h6-8,10,12,20H,2-5,9H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (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	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD3 (unknown origin) by fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071107 (CHEMBL3410001) Show SMILES Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C14H17N3O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4,15H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD2 (unknown origin) by fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071271 (CHEMBL3409995) Show SMILES Fc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C14H15FN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
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
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071209 (CHEMBL3409993) Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C15H18N2O4S2/c1-21-13-7-6-10(12-9-22-15(18)16-12)8-14(13)23(19,20)17-11-4-2-3-5-11/h6-9,11,17H,2-5H2,1H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/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	790	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD2 (unknown origin) by fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071100 (CHEMBL3410008) Show SMILES Cc1c(NC(=O)c2cccs2)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C20H21N3O4S3/c1-12-15(21-19(24)17-7-4-8-28-17)9-13(16-11-29-20(25)22-16)10-18(12)30(26,27)23-14-5-2-3-6-14/h4,7-11,14,23H,2-3,5-6H2,1H3,(H,21,24)(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071274 (CHEMBL3409998) Show SMILES O=C(Nc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1 Show InChI InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-8-7-12(15-10-26-18(23)20-15)9-16(14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071102 (CHEMBL3410006) Show SMILES CCCC(=O)Nc1cc(cc(c1C)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1 Show InChI InChI=1S/C19H25N3O4S2/c1-3-6-18(23)20-15-9-13(16-11-27-19(24)21-16)10-17(12(15)2)28(25,26)22-14-7-4-5-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071109 (CHEMBL3409982) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CCCC1 Show InChI InChI=1S/C14H16N2O3S2/c17-14-15-13(9-20-14)10-4-3-7-12(8-10)21(18,19)16-11-5-1-2-6-11/h3-4,7-9,11,16H,1-2,5-6H2,(H,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071111 (CHEMBL3409984) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CCCCC1 Show InChI InChI=1S/C15H18N2O3S2/c18-15-16-14(10-21-15)11-5-4-8-13(9-11)22(19,20)17-12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071110 (CHEMBL3409983) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C12H12N2O3S2/c15-12-13-11(7-18-12)8-2-1-3-10(6-8)19(16,17)14-9-4-5-9/h1-3,6-7,9,14H,4-5H2,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50432486 (CHEMBL2349349) Show SMILES O=c1[nH]c(cs1)-c1cccc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071200 (CHEMBL3409991) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CCOC1 Show InChI InChI=1S/C13H14N2O4S2/c16-13-14-12(8-20-13)9-2-1-3-11(6-9)21(17,18)15-10-4-5-19-7-10/h1-3,6,8,10,15H,4-5,7H2,(H,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071187 (CHEMBL3409987) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)Nc1ccon1 Show InChI InChI=1S/C12H9N3O4S2/c16-12-13-10(7-20-12)8-2-1-3-9(6-8)21(17,18)15-11-4-5-19-14-11/h1-7H,(H,13,16)(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071149 (CHEMBL3409986) Show SMILES Nc1ccc(NS(=O)(=O)c2cccc(c2)-c2csc(=O)[nH]2)cc1 Show InChI InChI=1S/C15H13N3O3S2/c16-11-4-6-12(7-5-11)18-23(20,21)13-3-1-2-10(8-13)14-9-22-15(19)17-14/h1-9,18H,16H2,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071198 (CHEMBL3409990) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NCC1CCCO1 Show InChI InChI=1S/C14H16N2O4S2/c17-14-16-13(9-21-14)10-3-1-5-12(7-10)22(18,19)15-8-11-4-2-6-20-11/h1,3,5,7,9,11,15H,2,4,6,8H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071188 (CHEMBL3409988) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C16H14N2O3S2/c19-16-18-15(11-22-16)13-7-4-8-14(9-13)23(20,21)17-10-12-5-2-1-3-6-12/h1-9,11,17H,10H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071148 (CHEMBL3409985) Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)-c2csc(=O)[nH]2)cc1 Show InChI InChI=1S/C16H14N2O4S2/c1-22-13-7-5-12(6-8-13)18-24(20,21)14-4-2-3-11(9-14)15-10-23-16(19)17-15/h2-10,18H,1H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071189 (CHEMBL3409989) Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NCCc1cccs1 Show InChI InChI=1S/C15H14N2O3S3/c18-15-17-14(10-22-15)11-3-1-5-13(9-11)23(19,20)16-7-6-12-4-2-8-21-12/h1-5,8-10,16H,6-7H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50071108 (CHEMBL3409981) Show SMILES Fc1ccccc1-c1csc(=O)[nH]1 Show InChI InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy				J Med Chem 58: 1281-97 (2015) Article DOI: 10.1021/jm501504k BindingDB Entry DOI: 10.7270/Q2P270TX
					More data for this Ligand-Target Pair				3D Structure (crystal)