Compile Data Set for Download or QSAR

Found 261 hits with Last Name = 'lindon' and Initial = 'mj'   

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 2 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Binding affinity to BRD2 BD1 (unknown origin) by fluorescence anisotropy competition binding assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy competition binding assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50148603 (CHEMBL3770724) Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12 Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Binding affinity to BRD3 BD1 (unknown origin) by fluorescence anisotropy competition binding assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157959 (5-Chloro-thiophene-2-sulfonic acid [5-((E)-3-morph...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCOCC3)ccc1C2 |THB:17:16:10:12.13,9:10:16.30.15.31:12.13,29:30:10:12.13| Show InChI InChI=1S/C24H29ClN2O3S2/c25-22-7-8-23(31-22)32(28,29)26-24-19-5-6-20(24)16-21-14-17(3-4-18(21)15-19)2-1-9-27-10-12-30-13-11-27/h1-4,7-8,14,19-20,24,26H,5-6,9-13,15-16H2/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158012 (CHEMBL183351 | N-[13-(5-Chloro-thiophene-2-sulfony...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)CN3CCN(CC3)c3ccccc3)ccc1C2 |THB:9:10:16.37.15.38:13.12,17:16:10:13.12,36:37:10:13.12| Show InChI InChI=1S/C29H33ClN4O3S2/c30-26-10-11-28(38-26)39(36,37)32-29-21-6-7-22(29)17-23-18-24(9-8-20(23)16-21)31-27(35)19-33-12-14-34(15-13-33)25-4-2-1-3-5-25/h1-5,8-11,18,21-22,29,32H,6-7,12-17,19H2,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157959 (5-Chloro-thiophene-2-sulfonic acid [5-((E)-3-morph...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCOCC3)ccc1C2 |THB:17:16:10:12.13,9:10:16.30.15.31:12.13,29:30:10:12.13| Show InChI InChI=1S/C24H29ClN2O3S2/c25-22-7-8-23(31-22)32(28,29)26-24-19-5-6-20(24)16-21-14-17(3-4-18(21)15-19)2-1-9-27-10-12-30-13-11-27/h1-4,7-8,14,19-20,24,26H,5-6,9-13,15-16H2/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157959 (5-Chloro-thiophene-2-sulfonic acid [5-((E)-3-morph...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCOCC3)ccc1C2 |THB:17:16:10:12.13,9:10:16.30.15.31:12.13,29:30:10:12.13| Show InChI InChI=1S/C24H29ClN2O3S2/c25-22-7-8-23(31-22)32(28,29)26-24-19-5-6-20(24)16-21-14-17(3-4-18(21)15-19)2-1-9-27-10-12-30-13-11-27/h1-4,7-8,14,19-20,24,26H,5-6,9-13,15-16H2/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157998 (5-Chloro-thiophene-2-sulfonic acid [5-(2-morpholin...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(OCCN3CCOCC3)ccc1C2 |THB:17:16:10:13.12,9:10:16.30.15.31:13.12,29:30:10:13.12| Show InChI InChI=1S/C23H29ClN2O4S2/c24-21-5-6-22(31-21)32(27,28)25-23-17-1-2-18(23)14-19-15-20(4-3-16(19)13-17)30-12-9-26-7-10-29-11-8-26/h3-6,15,17-18,23,25H,1-2,7-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158017 (CHEMBL180384 | N-[13-(5-Chloro-thiophene-2-sulfony...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)CN3CCCCC3)ccc1C2 |THB:17:16:10:13.12,9:10:16.31.15.32:13.12,30:31:10:13.12| Show InChI InChI=1S/C24H30ClN3O3S2/c25-21-8-9-23(32-21)33(30,31)27-24-17-4-5-18(24)13-19-14-20(7-6-16(19)12-17)26-22(29)15-28-10-2-1-3-11-28/h6-9,14,17-18,24,27H,1-5,10-13,15H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158000 (CHEMBL183774 | N-[13-(5-Chloro-thiophene-2-sulfony...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)CN3CCOCC3)ccc1C2 |THB:17:16:10:13.12,9:10:16.31.15.32:13.12,30:31:10:13.12| Show InChI InChI=1S/C23H28ClN3O4S2/c24-20-5-6-22(32-20)33(29,30)26-23-16-1-2-17(23)12-18-13-19(4-3-15(18)11-16)25-21(28)14-27-7-9-31-10-8-27/h3-6,13,16-17,23,26H,1-2,7-12,14H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157983 (CHEMBL183558 | N-[13-(5-Chloro-thiophene-2-sulfony...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)CN3CCCC3)ccc1C2 |THB:17:16:10:13.12,9:10:16.30.15.31:13.12,29:30:10:13.12| Show InChI InChI=1S/C23H28ClN3O3S2/c24-20-7-8-22(31-20)32(29,30)26-23-16-3-4-17(23)12-18-13-19(6-5-15(18)11-16)25-21(28)14-27-9-1-2-10-27/h5-8,13,16-17,23,26H,1-4,9-12,14H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526962 (CHEMBL4448056) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(ccc2n1CC1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O3/c1-17-13-19(16-26(2)24(17)29)23-25-21-14-20(27-7-11-31-12-8-27)3-4-22(21)28(23)15-18-5-9-30-10-6-18/h3-4,13-14,16,18H,5-12,15H2,1-2H3	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
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157994 (CHEMBL183764 | Pyridine-2-carboxylic acid [13-(5-c...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)c3ccccn3)ccc1C2 |THB:9:10:16.30.15.31:12.13,17:16:10:12.13,29:30:10:12.13| Show InChI InChI=1S/C23H22ClN3O3S2/c24-20-8-9-21(31-20)32(29,30)27-22-15-4-5-16(22)12-17-13-18(7-6-14(17)11-15)26-23(28)19-3-1-2-10-25-19/h1-3,6-10,13,15-16,22,27H,4-5,11-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526964 (CHEMBL4438171) Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158009 (5-Chloro-thiophene-2-sulfonic acid [5-((E)-3-imida...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\Cn3ccnc3)ccc1C2 |THB:9:10:16.29.15.30:12.13,17:16:10:12.13,28:29:10:12.13| Show InChI InChI=1S/C23H24ClN3O2S2/c24-21-7-8-22(30-21)31(28,29)26-23-18-5-6-19(23)14-20-12-16(3-4-17(20)13-18)2-1-10-27-11-9-25-15-27/h1-4,7-9,11-12,15,18-19,23,26H,5-6,10,13-14H2/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158018 ((13-Benzenesulfonylamino-tricyclo[8.2.1.0*3,8*]tri...) Show SMILES Clc1ccc(COC(=O)Nc2ccc3CC4CCC(Cc3c2)C4NS(=O)(=O)c2ccccc2)cc1 |TLB:12:13:22:16.17,21:20:22:16.17,THB:23:22:20.13.19.14:16.17| Show InChI InChI=1S/C27H27ClN2O4S/c28-23-11-6-18(7-12-23)17-34-27(31)29-24-13-10-19-14-20-8-9-21(15-22(19)16-24)26(20)30-35(32,33)25-4-2-1-3-5-25/h1-7,10-13,16,20-21,26,30H,8-9,14-15,17H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD2 (1 to 435 residues)/BD1 Y73A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50603088 (CHEMBL5203965) Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01747 BindingDB Entry DOI: 10.7270/Q23B646M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157975 (5-Chloro-thiophene-2-sulfonic acid {5-[(E)-3-(4-ph...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(\C=C\CN3CCN(CC3)c3ccccc3)ccc1C2 |THB:9:10:16.36.15.37:12.13,17:16:10:12.13,35:36:10:12.13| Show InChI InChI=1S/C30H34ClN3O2S2/c31-28-12-13-29(37-28)38(35,36)32-30-24-10-11-25(30)21-26-19-22(8-9-23(26)20-24)5-4-14-33-15-17-34(18-16-33)27-6-2-1-3-7-27/h1-9,12-13,19,24-25,30,32H,10-11,14-18,20-21H2/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157966 (CHEMBL180784 | [13-(5-Chloro-thiophene-2-sulfonyla...) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1cc(NC(=O)OCc3ccccc3)ccc1C2 |THB:9:10:16.32.15.33:12.13,17:16:10:12.13,31:32:10:12.13| Show InChI InChI=1S/C25H25ClN2O4S2/c26-22-10-11-23(33-22)34(30,31)28-24-18-6-7-19(24)13-20-14-21(9-8-17(20)12-18)27-25(29)32-15-16-4-2-1-3-5-16/h1-5,8-11,14,18-19,24,28H,6-7,12-13,15H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423246 (CHEMBL245568 | SB-649701) Show SMILES COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD1 (1 to 397 residues)/BD2 Y309A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158010 (5-Chloro-thiophene-2-sulfonic acid (5-fluoro-tricy...) Show SMILES Fc1ccc2CC3CCC(Cc2c1)C3NS(=O)(=O)c1ccc(Cl)s1 |TLB:12:11:13:8.7,3:4:13:8.7,THB:14:13:11.4.10.5:8.7| Show InChI InChI=1S/C17H17ClFNO2S2/c18-15-5-6-16(23-15)24(21,22)20-17-11-1-2-12(17)8-13-9-14(19)4-3-10(13)7-11/h3-6,9,11-12,17,20H,1-2,7-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526959 (CHEMBL4522991) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CCCOC1 Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423251 (CHEMBL240461) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1 Show InChI InChI=1S/C26H27N5O3/c1-33-24-7-6-22-25(29-24)20(8-11-27-22)23-16-31(26(32)34-23)19-9-12-30(13-10-19)15-18-14-17-4-2-3-5-21(17)28-18/h2-8,11,14,19,23,28H,9-10,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526959 (CHEMBL4522991) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CCCOC1 Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
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	32	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157965 (5-Chloro-thiophene-2-sulfonic acid (4-fluoro-tricy...) Show SMILES Fc1cccc2CC3CCC(Cc12)C3NS(=O)(=O)c1ccc(Cl)s1 |TLB:1:12:13:9.8,4:5:13:9.8,THB:14:13:12.11.5.6:9.8| Show InChI InChI=1S/C17H17ClFNO2S2/c18-15-6-7-16(23-15)24(21,22)20-17-11-4-5-12(17)9-13-10(8-11)2-1-3-14(13)19/h1-3,6-7,11-12,17,20H,4-5,8-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50158008 (5-Chloro-thiophene-2-sulfonic acid {5-[(E)-3-(4-me...) Show SMILES CN1CCN(C\C=C\c2ccc3CC4CCC(Cc3c2)C4NS(=O)(=O)c2ccc(Cl)s2)CC1 |TLB:19:18:20:15.14,10:11:20:15.14,THB:21:20:18.11.17.12:15.14| Show InChI InChI=1S/C25H32ClN3O2S2/c1-28-11-13-29(14-12-28)10-2-3-18-4-5-19-16-20-6-7-21(17-22(19)15-18)25(20)27-33(30,31)24-9-8-23(26)32-24/h2-5,8-9,15,20-21,25,27H,6-7,10-14,16-17H2,1H3/b3-2+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423244 (CHEMBL397395) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C27H31N3O3/c1-18-4-5-20(14-19(18)2)16-29-12-9-21(10-13-29)30-17-26(33-27(30)31)23-8-11-28-25-7-6-22(32-3)15-24(23)25/h4-8,11,14-15,21,26H,9-10,12-13,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escheri...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50544616 (CHEMBL4635329) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)| Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526961 (CHEMBL4576013) Show SMILES COCC(COC)n1c(nc2ccccc12)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C19H23N3O3/c1-13-9-14(10-21(2)19(13)23)18-20-16-7-5-6-8-17(16)22(18)15(11-24-3)12-25-4/h5-10,15H,11-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157984 (CHEMBL182349 | N-[13-(5-Chloro-thiophene-2-sulfony...) Show SMILES CCN(CC)CC(=O)Nc1ccc2CC3CCC(Cc2c1)C3NS(=O)(=O)c1ccc(Cl)s1 |TLB:20:19:21:16.15,11:12:21:16.15,THB:22:21:19.12.18.13:16.15| Show InChI InChI=1S/C23H30ClN3O3S2/c1-3-27(4-2)14-21(28)25-19-8-7-15-11-16-5-6-17(12-18(15)13-19)23(16)26-32(29,30)22-10-9-20(24)31-22/h7-10,13,16-17,23,26H,3-6,11-12,14H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50423250 (CHEMBL395424) Show SMILES COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1 Show InChI InChI=1S/C25H26BrN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FL...				Bioorg Med Chem Lett 17: 1722-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.076 BindingDB Entry DOI: 10.7270/Q2668FG7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526950 (CHEMBL4547614) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CCC1CCOCC1 Show InChI InChI=1S/C21H25N3O2/c1-15-13-17(14-23(2)21(15)25)20-22-18-5-3-4-6-19(18)24(20)10-7-16-8-11-26-12-9-16/h3-6,13-14,16H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544597 (GSK778) Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of bromosporine-tracer from BRD4 (unknown origin) expressed in HEK293 cells by NanoBRET NanoGlo substrate based NanoBRET assay				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526967 (CHEMBL4579229) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CC2(COC2)C1 Show InChI InChI=1S/C21H23N3O2/c1-14-7-16(11-23(2)20(14)25)19-22-17-5-3-4-6-18(17)24(19)10-15-8-21(9-15)12-26-13-21/h3-7,11,15H,8-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157977 (CHEMBL183654 | Thiophene-2-sulfonic acid tricyclo[...) Show SMILES O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cccs1 |THB:3:4:16.9.10.15:6.7,14:15:4:6.7,11:10:4:6.7| Show InChI InChI=1S/C17H19NO2S2/c19-22(20,16-6-3-9-21-16)18-17-14-7-8-15(17)11-13-5-2-1-4-12(13)10-14/h1-6,9,14-15,17-18H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544603 (CHEMBL4633643) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(C)c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(3.53,-7.18,;3.53,-8.72,;4.87,-9.49,;6.2,-8.72,;7.53,-9.48,;8.86,-8.71,;9.17,-7.21,;8.14,-6.07,;6.63,-6.39,;8.61,-4.6,;10.11,-4.29,;10.58,-2.82,;9.55,-1.68,;8.04,-2.01,;7.57,-3.48,;10.69,-7.04,;11.46,-5.71,;11.32,-8.44,;12.83,-8.76,;10.19,-9.47,;10.2,-11.02,;8.87,-11.79,;7.53,-11.03,;6.2,-11.8,;4.86,-11.03,;3.53,-11.8,;2.12,-11.17,;1.81,-9.66,;1.09,-12.31,;1.86,-13.65,;3.37,-13.33,;4.51,-14.36,)| Show InChI InChI=1S/C24H23N5O3/c1-13-22(15(3)32-27-13)17-10-19-16(11-21(17)31-5)23-20(12-26-19)28(4)24(30)29(23)14(2)18-8-6-7-9-25-18/h6-12,14H,1-5H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escher...				J Med Chem 63: 9020-9044 (2020) Article DOI: 10.1021/acs.jmedchem.0c00566 BindingDB Entry DOI: 10.7270/Q2348Q0N
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50157973 (5-chloro-thiophene-2-sulfonic acid tricyclo[8.2.1....) Show SMILES Clc1ccc(s1)S(=O)(=O)NC1C2CCC1Cc1ccccc1C2 |THB:17:16:10:12.13,9:10:22.15.16.21:12.13,20:21:10:12.13| Show InChI InChI=1S/C17H18ClNO2S2/c18-15-7-8-16(22-15)23(20,21)19-17-13-5-6-14(17)10-12-4-2-1-3-11(12)9-13/h1-4,7-8,13-14,17,19H,5-6,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells				Bioorg Med Chem Lett 15: 373-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.062 BindingDB Entry DOI: 10.7270/Q2445KZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50603097 (CHEMBL5195288) Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01747 BindingDB Entry DOI: 10.7270/Q23B646M
					More data for this Ligand-Target Pair

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