Compile Data Set for Download or QSAR

Found 308 hits Enz. Inhib. hit(s) with Target = 'Bromodomain protein 4 (BRD4-BD1)'   

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 [44-168] (Homo sapiens (Human))	BDBM205453 (MTI (35)) Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c3c(C)c(C)sc3-n3c(C)nnc13)c1ccc(Cl)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8,43| Show InChI InChI=1S/C54H66Cl2N10O9S2/c1-33-35(3)76-53-47(33)49(39-7-11-41(55)12-8-39)59-43(51-63-61-37(5)65(51)53)31-45(67)57-15-17-69-19-21-71-23-25-73-27-29-75-30-28-74-26-24-72-22-20-70-18-16-58-46(68)32-44-52-64-62-38(6)66(52)54-48(34(2)36(4)77-54)50(60-44)40-9-13-42(56)14-10-40/h7-14,43-44H,15-32H2,1-6H3,(H,57,67)(H,58,68)/t43-,44?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205431 ((6S+2S)-PEG1 (7)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,36| Show InChI InChI=1S/C43H42Cl2N10O5S2/c1-21-23(3)61-42-34(21)36(26-7-11-28(44)12-8-26)48-30(39-52-50-24(4)54(39)42)19-32(56)46-15-17-60-18-16-47-41(58)38-22(2)35-37(27-9-13-29(45)14-10-27)49-31(20-33(57)59-6)40-53-51-25(5)55(40)43(35)62-38/h7-14,30-31H,15-20H2,1-6H3,(H,46,56)(H,47,58)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50260101 (CHEMBL4068487 | US10689390, Compound 38 | US113193...) Show SMILES CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H23F2N3O3/c1-4-28-22(31)12-21-16-11-23(32)30(2)13-18(16)15-9-8-14(33-3)10-17(15)25(29-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205431 ((6S+2S)-PEG1 (7)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,36| Show InChI InChI=1S/C43H42Cl2N10O5S2/c1-21-23(3)61-42-34(21)36(26-7-11-28(44)12-8-26)48-30(39-52-50-24(4)54(39)42)19-32(56)46-15-17-60-18-16-47-41(58)38-22(2)35-37(27-9-13-29(45)14-10-27)49-31(20-33(57)59-6)40-53-51-25(5)55(40)43(35)62-38/h7-14,30-31H,15-20H2,1-6H3,(H,46,56)(H,47,58)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.758	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205435 ((6S+2S)-PEG7 (11)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,54| Show InChI InChI=1S/C55H66Cl2N10O11S2/c1-33-35(3)79-54-46(33)48(38-7-11-40(56)12-8-38)60-42(51-64-62-36(4)66(51)54)31-44(68)58-15-17-72-19-21-74-23-25-76-27-29-78-30-28-77-26-24-75-22-20-73-18-16-59-53(70)50-34(2)47-49(39-9-13-41(57)14-10-39)61-43(32-45(69)71-6)52-65-63-37(5)67(52)55(47)80-50/h7-14,42-43H,15-32H2,1-6H3,(H,58,68)(H,59,70)/t42-,43-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.789	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448073 (US10689390, Compound 23 | US11319326, Compound 23) Show SMILES CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H22F2N2O4/c1-4-33-23(31)12-21-16-11-22(30)29(2)13-18(16)15-9-8-14(32-3)10-17(15)25(28-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209487 (US10328074, Example III-28 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccc(F)cn1)N1CCOCC1 Show InChI InChI=1S/C25H27FN10O/c1-15(2)29-23-25-33-32-16(3)35(25)14-20(30-23)24-31-19-12-28-22(34-6-8-37-9-7-34)10-21(19)36(24)13-18-5-4-17(26)11-27-18/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205456 ((2S+2S)-PEG1 (5)) Show SMILES COC(=O)C[C@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)c1sc-2c(c1C)C(=N[C@@H](CC(=O)OC)c1nnc(C)n-21)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,41| Show InChI InChI=1S/C44H42Cl2N10O7S2/c1-21-33-35(25-7-11-27(45)12-8-25)49-29(19-31(57)61-5)39-53-51-23(3)55(39)43(33)64-37(21)41(59)47-15-17-63-18-16-48-42(60)38-22(2)34-36(26-9-13-28(46)14-10-26)50-30(20-32(58)62-6)40-54-52-24(4)56(40)44(34)65-38/h7-14,29-30H,15-20H2,1-6H3,(H,47,59)(H,48,60)/t29-,30+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205432 ((6S+2S)-PEG2 (8)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,39| Show InChI InChI=1S/C45H46Cl2N10O6S2/c1-23-25(3)64-44-36(23)38(28-7-11-30(46)12-8-28)50-32(41-54-52-26(4)56(41)44)21-34(58)48-15-17-62-19-20-63-18-16-49-43(60)40-24(2)37-39(29-9-13-31(47)14-10-29)51-33(22-35(59)61-6)42-55-53-27(5)57(42)45(37)65-40/h7-14,32-33H,15-22H2,1-6H3,(H,48,58)(H,49,60)/t32-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448074 (US10689390, Compound 25 | US11319326, Compound 25) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H24ClN3O3/c1-4-27-23(30)13-22-19-12-24(31)29(2)14-21(19)18-10-9-17(32-3)11-20(18)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50260078 (CHEMBL4095826 | US10689390, Compound 26 | US113193...) Show SMILES CCNC(=O)CC1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H31N3O3/c1-4-26-23(29)14-22-19-13-24(30)28(2)15-21(19)18-11-10-17(31-3)12-20(18)25(27-22)16-8-6-5-7-9-16/h10-13,15-16,22H,4-9,14H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205433 ((6S+2S)-PEG3 (9)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,42| Show InChI InChI=1S/C47H50Cl2N10O7S2/c1-25-27(3)67-46-38(25)40(30-7-11-32(48)12-8-30)52-34(43-56-54-28(4)58(43)46)23-36(60)50-15-17-64-19-21-66-22-20-65-18-16-51-45(62)42-26(2)39-41(31-9-13-33(49)14-10-31)53-35(24-37(61)63-6)44-57-55-29(5)59(44)47(39)68-42/h7-14,34-35H,15-24H2,1-6H3,(H,50,60)(H,51,62)/t34-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205434 ((6S+2S)-PEG4 (10)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,45| Show InChI InChI=1S/C49H54Cl2N10O8S2/c1-27-29(3)70-48-40(27)42(32-7-11-34(50)12-8-32)54-36(45-58-56-30(4)60(45)48)25-38(62)52-15-17-66-19-21-68-23-24-69-22-20-67-18-16-53-47(64)44-28(2)41-43(33-9-13-35(51)14-10-33)55-37(26-39(63)65-6)46-59-57-31(5)61(46)49(41)71-44/h7-14,36-37H,15-26H2,1-6H3,(H,52,62)(H,53,64)/t36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.95	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242713 (US9422290, III-2) Show SMILES CCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1 Show InChI InChI=1S/C21H29N7/c1-4-27-12-10-18(11-13-27)22-19-14-20(25-28-16(2)23-24-21(19)28)26(3)15-17-8-6-5-7-9-17/h5-9,14,18,22H,4,10-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209482 (US10328074, Example III-23 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C24H25N9O/c1-16-29-30-24-22(25-2)27-20(15-32(16)24)23-28-19-7-6-18(31-9-11-34-12-10-31)13-21(19)33(23)14-17-5-3-4-8-26-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209481 (US10328074, Example III-22 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-7-9-34-10-8-31)11-19(17)33(22)13-16-5-3-4-6-25-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209474 (US10328074, Example III-15 | US11077107, Example I...) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C |t:43| Show InChI InChI=1S/C33H38N10O2/c1-21-17-29(44)38-39-30(21)24-9-10-28-26(18-24)36-32(43(28)19-23-7-5-4-6-8-23)27-20-42-22(2)37-40-33(42)31(35-27)34-25-11-13-41(14-12-25)15-16-45-3/h4-10,18,20-21,25H,11-17,19H2,1-3H3,(H,34,35)(H,38,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242688 (US9422290, I-1) Show SMILES CN(Cc1ccccc1)c1cc(NC2CCN(C)CC2)c2nnc(C)n2n1 Show InChI InChI=1S/C20H27N7/c1-15-22-23-20-18(21-17-9-11-25(2)12-10-17)13-19(24-27(15)20)26(3)14-16-7-5-4-6-8-16/h4-8,13,17,21H,9-12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242696 (US9422290, II-3) Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1[nH]c2ccccc2c1Cc1ccccc1 Show InChI InChI=1S/C27H29N7/c1-18-30-31-27-25(28-20-12-14-33(2)15-13-20)17-24(32-34(18)27)26-22(16-19-8-4-3-5-9-19)21-10-6-7-11-23(21)29-26/h3-11,17,20,28-29H,12-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242702 (US9422290, II-9) Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1 Show InChI InChI=1S/C23H28N8/c1-16-25-26-23-22(24-18-9-11-29(2)12-10-18)14-21(28-31(16)23)19-15-30(3)27-20(19)13-17-7-5-4-6-8-17/h4-8,14-15,18,24H,9-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50260080 (CHEMBL4088097 | US10689390, Compound 14 | US113193...) Show SMILES CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H23ClN2O4/c1-4-32-24(30)13-22-19-12-23(29)28(2)14-21(19)18-10-9-17(31-3)11-20(18)25(27-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242714 (US9422290, III-3) Show SMILES COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)N(C)Cc1ccccc1 Show InChI InChI=1S/C22H31N7O/c1-17-24-25-22-20(23-19-9-11-28(12-10-19)13-14-30-3)15-21(26-29(17)22)27(2)16-18-7-5-4-6-8-18/h4-8,15,19,23H,9-14,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205430 ((6S+2S)-PEG0 (6)) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r,c:6,33| Show InChI InChI=1S/C41H38Cl2N10O4S2/c1-19-21(3)58-40-32(19)34(24-7-11-26(42)12-8-24)46-28(37-50-48-22(4)52(37)40)17-30(54)44-15-16-45-39(56)36-20(2)33-35(25-9-13-27(43)14-10-25)47-29(18-31(55)57-6)38-51-49-23(5)53(38)41(33)59-36/h7-14,28-29H,15-18H2,1-6H3,(H,44,54)(H,45,56)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.58	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242701 (US9422290, II-8) Show SMILES COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cn(C)nc1Cc1ccccc1 Show InChI InChI=1S/C25H32N8O/c1-18-27-28-25-24(26-20-9-11-32(12-10-20)13-14-34-3)16-23(30-33(18)25)21-17-31(2)29-22(21)15-19-7-5-4-6-8-19/h4-8,16-17,20,26H,9-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448081 (US10689390, Compound 37 | US11319326, Compound 37) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(F)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H21ClFN3O2/c1-3-27-22(30)12-21-18-11-23(31)29(2)13-20(18)17-9-8-16(26)10-19(17)24(28-21)14-4-6-15(25)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209508 (US10328074, Example III-49 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1 Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-6-8-34-9-7-31)10-19(17)33(22)13-16-4-3-5-25-11-16/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209457 (US10328074, Example II-1 | US11077107, Example II-...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H23N7/c1-16-21(19-12-8-5-9-13-19)27-23(30(16)14-18-10-6-4-7-11-18)20-15-31-17(2)28-29-24(31)22(25-3)26-20/h4-13,15H,14H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448083 (US10689390, Compound 39 | US11319326, Compound 39) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C26H26ClN3O3/c1-5-28-24(31)13-23-20-12-25(32)30(3)14-22(20)19-9-7-17(33-4)11-21(19)26(29-23)18-8-6-16(27)10-15(18)2/h6-12,14,23H,5,13H2,1-4H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448076 (US10689390, Compound 27 | US11319326, Compound 27) Show SMILES CCNC(=O)CC1N=C(c2ccccn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H24N4O3/c1-4-25-22(29)13-21-17-12-23(30)28(2)14-19(17)16-9-8-15(31-3)11-18(16)24(27-21)20-7-5-6-10-26-20/h5-12,14,21H,4,13H2,1-3H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209485 (US10328074, Example III-26 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C26H29N9O/c1-17(2)28-24-26-32-31-18(3)34(26)16-22(29-24)25-30-21-8-7-20(33-10-12-36-13-11-33)14-23(21)35(25)15-19-6-4-5-9-27-19/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209475 (US10328074, Example III-16 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C |t:33| Show InChI InChI=1S/C26H25N9O/c1-15-11-22(36)31-32-23(15)18-9-10-21-19(12-18)29-25(35(21)13-17-7-5-4-6-8-17)20-14-34-16(2)30-33-26(34)24(27-3)28-20/h4-10,12,14-15H,11,13H2,1-3H3,(H,27,28)(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209509 (US10328074, Example III-50 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCOCC1 Show InChI InChI=1S/C24H25N9O/c1-16-29-30-24-22(25-2)27-20(15-32(16)24)23-28-19-6-5-18(31-8-10-34-11-9-31)12-21(19)33(23)14-17-4-3-7-26-13-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM205454 (2S+IBET-PEG2 (25)) Show SMILES COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:56.62,c:6,(-5.7,4.34,;-4.06,4.67,;-3.14,3.26,;-3.7,1.8,;-1.9,3.7,;-.81,2.61,;-.58,1.09,;.75,.32,;2.18,.88,;3.52,.11,;3.92,-1.37,;4.66,1.15,;4.04,2.55,;2.64,2.36,;1.77,3.63,;2.33,5.1,;3.81,5.5,;1.13,6.07,;-.16,5.23,;.24,3.74,;5.75,.22,;5.75,-1.07,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.93,.06,;17.27,.83,;19.03,-.17,;21.02,.8,;21.32,2.14,;22.03,.07,;23.61,.29,;24.77,1.06,;24.77,2.6,;26.1,3.37,;27.44,2.6,;28.77,3.37,;30.1,2.6,;31.44,3.37,;32.77,2.6,;32.77,1.06,;33.86,3.69,;33.16,5.06,;31.64,4.82,;30.55,5.91,;30.1,1.06,;31.44,.29,;32.77,-.48,;28.77,.29,;27.44,1.06,;26.1,.29,;25.63,-1.18,;26.63,-2.11,;28.17,-1.73,;26.19,-3.28,;24.65,-3.28,;23.88,-4.61,;24.65,-5.95,;26.19,-5.95,;26.96,-4.61,;24.09,-1.18,;23.32,-2.51,;.75,-1.22,;2.08,-1.99,;2.08,-3.53,;.75,-4.3,;.75,-5.84,;-.58,-3.53,;-.58,-1.99,)| Show InChI InChI=1S/C51H52ClN11O9S/c1-27-43-45(32-11-13-33(52)14-12-32)57-38(24-42(65)69-7)48-59-58-31(5)63(48)50(43)73-47(27)49(66)55-17-19-71-21-20-70-18-16-54-41(64)26-61-39-25-56-37-22-35(44-28(2)60-72-30(44)4)40(68-6)23-34(37)46(39)62(51(61)67)29(3)36-10-8-9-15-53-36/h8-15,22-23,25,29,38H,16-21,24,26H2,1-7H3,(H,54,64)(H,55,66)/t29-,38?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209491 (US10328074, Example III-32 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C Show InChI InChI=1S/C24H27N9/c1-15(2)26-22-24-30-29-16(3)32(24)14-20(27-22)23-28-19-10-9-18(31(4)5)12-21(19)33(23)13-17-8-6-7-11-25-17/h6-12,14-15H,13H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209460 (US10328074, Example III-1 | US11077107, Example II...) Show SMILES CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C26H28N8/c1-18-30-31-26-24(27-20-12-14-32(2)15-13-20)28-22(17-33(18)26)25-29-21-10-6-7-11-23(21)34(25)16-19-8-4-3-5-9-19/h3-11,17,20H,12-16H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209471 (US10328074, Example III-12 | US11077107, Example I...) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C32H39N9O2/c1-23-36-37-32-30(33-25-10-12-38(13-11-25)14-17-42-2)34-28(22-40(23)32)31-35-27-9-8-26(39-15-18-43-19-16-39)20-29(27)41(31)21-24-6-4-3-5-7-24/h3-9,20,22,25H,10-19,21H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209480 (US10328074, Example III-21 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCN(C)CC1 Show InChI InChI=1S/C25H28N10/c1-17-30-31-25-23(26-2)28-21(16-34(17)25)24-29-20-8-7-19(33-12-10-32(3)11-13-33)14-22(20)35(24)15-18-6-4-5-9-27-18/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209507 (US10328074, Example III-48 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H28N10/c1-17-30-31-25-23(26-2)28-21(16-34(17)25)24-29-20-7-6-19(33-11-9-32(3)10-12-33)13-22(20)35(24)15-18-5-4-8-27-14-18/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM215738 (US9296748, II-25) Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)n1 |r| Show InChI InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9296748 (2016) BindingDB Entry DOI: 10.7270/Q21G0K4K
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242699 (US9422290, II-6) Show SMILES COCCN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1 Show InChI InChI=1S/C24H30N8O2/c1-17-27-28-23-22(26-18-9-11-31(12-10-18)13-14-33-3)15-21(29-32(17)23)20-16-25-30(2)24(20)34-19-7-5-4-6-8-19/h4-8,15-16,18,26H,9-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM242700 (US9422290, II-7) Show SMILES CN1CCC(CC1)Nc1cc(nn2c(C)nnc12)-c1cnn(C)c1Oc1ccccc1 Show InChI InChI=1S/C22H26N8O/c1-15-25-26-21-20(24-16-9-11-28(2)12-10-16)13-19(27-30(15)21)18-14-23-29(3)22(18)31-17-7-5-4-6-8-17/h4-8,13-14,16,24H,9-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				US Patent US9422290 (2016) BindingDB Entry DOI: 10.7270/Q2R49PPG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209453 (US10328074, Example I-5 | US11077107, Example I-5 ...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Oc1ccccc1 Show InChI InChI=1S/C18H19N7O/c1-11-16(26-13-8-6-5-7-9-13)15(23-24(11)4)14-10-25-12(2)21-22-18(25)17(19-3)20-14/h5-10H,1-4H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209463 (US10328074, Example III-4 | US11077107, Example II...) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C28H32N8O/c1-20-32-33-28-26(29-22-12-14-34(15-13-22)16-17-37-2)30-24(19-35(20)28)27-31-23-10-6-7-11-25(23)36(27)18-21-8-4-3-5-9-21/h3-11,19,22H,12-18H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50157531 (CHEMBL3785917 | US9428513, I-25) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC1CC1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (PerkinE...				US Patent US9428513 (2016) BindingDB Entry DOI: 10.7270/Q23777MK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209464 (US10328074, Example III-5 | US11077107, Example II...) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31FN8O/c1-19-33-34-28-26(30-22-11-13-35(14-12-22)15-16-38-2)31-24(18-36(19)28)27-32-23-5-3-4-6-25(23)37(27)17-20-7-9-21(29)10-8-20/h3-10,18,22H,11-17H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209465 (US10328074, Example III-6 | US11077107, Example II...) Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)c(F)c1 Show InChI InChI=1S/C28H30F2N8O/c1-18-34-35-28-26(31-20-9-11-36(12-10-20)13-14-39-2)32-24(17-37(18)28)27-33-23-5-3-4-6-25(23)38(27)16-19-7-8-21(29)22(30)15-19/h3-8,15,17,20H,9-14,16H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209467 (US10328074, Example III-8 | US11077107, Example II...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H28N10/c1-17-30-31-25-23(26-2)28-20(16-34(17)25)24-29-19-14-27-22(33-11-9-32(3)10-12-33)13-21(19)35(24)15-18-7-5-4-6-8-18/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209470 (US10328074, Example III-11 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(nc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N11/c1-16-30-31-23-20(25-2)27-19(15-34(16)23)22-28-18-13-26-24(33-11-9-32(3)10-12-33)29-21(18)35(22)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209472 (US10328074, Example III-13 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209488 (US10328074, Example III-29 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C26H30N10O/c1-16(2)29-24-26-33-32-18(4)35(26)14-21(30-24)25-31-20-12-28-23(34-9-10-37-15-17(34)3)11-22(20)36(25)13-19-7-5-6-8-27-19/h5-8,11-12,14,16-17H,9-10,13,15H2,1-4H3,(H,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6PHQ
					More data for this Ligand-Target Pair

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