Compile Data Set for Download or QSAR

Found 78 hits of ic50 for UniProtKB: P62805   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209489 (US10328074, Example III-30 | 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-/m0/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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (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
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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209473 (US10328074, Example III-14 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C25H26N8O/c1-17-29-30-25-23(26-2)27-21(16-32(17)25)24-28-20-9-8-19(31-10-12-34-13-11-31)14-22(20)33(24)15-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209486 (US10328074, Example III-27 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 Show InChI InChI=1S/C25H28N10O/c1-16(2)28-23-25-32-31-17(3)34(25)15-20(29-23)24-30-19-13-27-22(33-8-10-36-11-9-33)12-21(19)35(24)14-18-6-4-5-7-26-18/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209484 (US10328074, Example III-25 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1 Show InChI InChI=1S/C25H26N8O/c1-16-30-31-25-23(26-2)28-21(15-32(16)25)24-29-20-13-18(17-8-11-34-12-9-17)6-7-22(20)33(24)14-19-5-3-4-10-27-19/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209506 (US11077107, Example III-47 | US9266891, III-47) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-9-7-32(3)8-10-33)11-20(18)35(23)14-17-5-4-6-26-12-17/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209512 (US10328074, Example III-53 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccncc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-10-8-32(3)9-11-33)12-20(18)35(23)14-17-4-6-26-7-5-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4/Histone H4 (Homo sapiens (Human))	BDBM179292 (US9125915, compound 17) Show SMILES CONC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:7| Show InChI InChI=1S/C20H20ClN5O2S/c1-10-11(2)29-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(27)25-28-4)19-24-23-12(3)26(19)20/h5-8,15H,9H2,1-4H3,(H,25,27)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...				US Patent US9125915 (2015) BindingDB Entry DOI: 10.7270/Q26972BJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209510 (US10328074, Example III-51 | US11077107, Example I...) Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-4-8-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-6-9-37-10-7-34)11-22(20)36(25)14-18-3-2-5-27-12-18/h2-3,5,11-13,15,19H,4,6-10,14,16H2,1H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209479 (US10328074, Example III-20 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-10-8-32(3)9-11-33)12-20(18)35(23)14-17-6-4-5-7-26-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209490 (US10328074, Example III-31 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N(C)C Show InChI InChI=1S/C23H26N10/c1-14(2)26-21-23-30-29-15(3)32(23)13-18(27-21)22-28-17-11-25-20(31(4)5)10-19(17)33(22)12-16-8-6-7-9-24-16/h6-11,13-14H,12H2,1-5H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209468 (US10328074, Example III-9 | US11077107, Example II...) Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn2c(C)nnc2c(C)n1 Show InChI InChI=1S/C25H27N9/c1-17-24-30-29-18(2)33(24)16-21(27-17)25-28-20-14-26-23(32-11-9-31(3)10-12-32)13-22(20)34(25)15-19-7-5-4-6-8-19/h4-8,13-14,16H,9-12,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209496 (US10328074, Example III-37 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1 Show InChI InChI=1S/C21H21N9/c1-13(2)24-19-21-28-27-14(3)29(21)12-17(25-19)20-26-16-10-22-9-7-18(16)30(20)11-15-6-4-5-8-23-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209494 (US10328074, Example III-35 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(C)cc2n1Cc1ccccn1 Show InChI InChI=1S/C23H24N8/c1-14(2)25-21-23-29-28-16(4)30(23)13-19(26-21)22-27-18-9-8-15(3)11-20(18)31(22)12-17-7-5-6-10-24-17/h5-11,13-14H,12H2,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209458 (US10328074, Example II-2 | US11077107, Example II-...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(C)c(C)n1Cc1ccccc1 Show InChI InChI=1S/C19H21N7/c1-12-13(2)25(10-15-8-6-5-7-9-15)18(21-12)16-11-26-14(3)23-24-19(26)17(20-4)22-16/h5-9,11H,10H2,1-4H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209476 (US10328074, Example III-17 | US11077107, Example I...) Show SMILES CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N10/c1-4-27-24-26-32-31-18(2)35(26)17-21(29-24)25-30-20-15-28-23(34-12-10-33(3)11-13-34)14-22(20)36(25)16-19-8-6-5-7-9-19/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209497 (US10328074, Example III-38 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccc(C)n1)N1CCOCC1 Show InChI InChI=1S/C26H30N10O/c1-16(2)28-24-26-33-32-18(4)35(26)15-21(30-24)25-31-20-13-27-23(34-8-10-37-11-9-34)12-22(20)36(25)14-19-7-5-6-17(3)29-19/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4/Histone H4 (Homo sapiens (Human))	BDBM179288 (US9125915, compound 13) Show SMILES CNC(=O)CC1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C20H20ClN5OS/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)23-15(9-16(27)22-4)19-25-24-12(3)26(19)20/h5-8,15H,9H2,1-4H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...				US Patent US9125915 (2015) BindingDB Entry DOI: 10.7270/Q26972BJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209452 (US10328074, Example I-4 | US9266891, I-4) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Cc1ccccc1 Show InChI InChI=1S/C19H21N7/c1-12-15(10-14-8-6-5-7-9-14)17(24-25(12)4)16-11-26-13(2)22-23-19(26)18(20-3)21-16/h5-9,11H,10H2,1-4H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209469 (US10328074, Example III-10 | US11077107, Example I...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cccnc2n1Cc1ccccc1 Show InChI InChI=1S/C20H18N8/c1-13-25-26-20-17(21-2)23-16(12-27(13)20)19-24-15-9-6-10-22-18(15)28(19)11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209499 (US10328074, Example III-40 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)C(C)C Show InChI InChI=1S/C24H27N9/c1-14(2)18-10-21-19(11-26-18)29-23(33(21)12-17-8-6-7-9-25-17)20-13-32-16(5)30-31-24(32)22(28-20)27-15(3)4/h6-11,13-15H,12H2,1-5H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4/Histone H4 (Homo sapiens (Human))	BDBM179283 (US9125915, compound 6) Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:6| Show InChI InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...				US Patent US9125915 (2015) BindingDB Entry DOI: 10.7270/Q26972BJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209492 (US10328074, Example III-33 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccn1 Show InChI InChI=1S/C22H22N8/c1-14(2)24-20-22-28-27-15(3)29(22)13-18(25-20)21-26-17-9-4-5-10-19(17)30(21)12-16-8-6-7-11-23-16/h4-11,13-14H,12H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209483 (US10328074, Example III-24 | US11077107, Example I...) Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r| Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4/Histone H4 (Homo sapiens (Human))	BDBM179289 (US9125915, compound 14) Show SMILES Cc1sc-2c(c1C)C(=NC(CC(=O)NCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8| Show InChI InChI=1S/C21H22ClN5O2S/c1-11-12(2)30-21-18(11)19(14-4-6-15(22)7-5-14)24-16(10-17(29)23-8-9-28)20-26-25-13(3)27(20)21/h4-7,16,28H,8-10H2,1-3H3,(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...				US Patent US9125915 (2015) BindingDB Entry DOI: 10.7270/Q26972BJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209466 (US10328074, Example III-7 | US11077107, Example II...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H19N7/c1-14-25-26-21-19(22-2)23-17(13-27(14)21)20-24-16-10-6-7-11-18(16)28(20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209477 (US10328074, Example III-18 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N10/c1-18(2)29-25-27-33-32-19(3)36(27)17-22(30-25)26-31-21-15-28-24(35-12-10-34(4)11-13-35)14-23(21)37(26)16-20-8-6-5-7-9-20/h5-9,14-15,17-18H,10-13,16H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209495 (US10328074, Example III-36 | US11077107, Example I...) Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(C)cc2n1Cc1ccccn1 Show InChI InChI=1S/C22H23N9/c1-13(2)25-20-22-29-28-15(4)30(22)12-18(26-20)21-27-17-10-24-14(3)9-19(17)31(21)11-16-7-5-6-8-23-16/h5-10,12-13H,11H2,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209511 (US10328074, Example III-52 | US11077107, Example I...) Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(C)cc2n1Cc1cccnc1 |r| Show InChI InChI=1S/C23H23N9O/c1-14-8-20-18(10-25-14)28-22(32(20)11-16-4-3-6-24-9-16)19-12-31-15(2)29-30-23(31)21(27-19)26-17-5-7-33-13-17/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3,(H,26,27)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	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 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair

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