Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'fanslau' and Initial = 'c'   

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))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM445524 (2-{7-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-10-11-24-25(16-22)35(26-17-23(30(2,3)36)18-31-27(24)26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM445527 (2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wU:11.11,(5.87,4.1,;5.87,2.56,;7.24,1.86,;7,.34,;5.48,.1,;4.71,-1.23,;4.78,1.47,;3.3,1.87,;2.27,.73,;.76,1.05,;-.49,.14,;-.49,-1.4,;.85,-2.17,;2.18,-1.4,;3.51,-2.17,;3.51,-3.71,;2.18,-4.48,;.85,-3.71,;-1.82,-2.17,;-3.15,-1.4,;-4.49,-2.17,;-4.49,-3.71,;-3.15,-4.48,;-1.82,-3.71,;-1.73,1.05,;-3.24,.73,;-4.27,1.87,;-3.79,3.33,;-2.29,3.65,;-1.26,2.51,;.28,2.51,;1.31,3.65,;2.82,3.33,;3.85,4.48,;-5.76,1.47,;-6.85,2.56,;-6.16,-.02,;-7.24,1.07,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50579853 (CHEMBL5075294) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](CCC)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.18,(54.77,-34.94,;56.32,-34.94,;57.07,-36.27,;55.78,-36.06,;57.04,-33.58,;58.57,-33.38,;58.84,-31.86,;57.49,-31.13,;57.28,-29.61,;56.38,-32.2,;54.86,-31.93,;53.87,-33.1,;52.35,-32.82,;51.14,-33.77,;51.2,-35.31,;49.89,-36.12,;48.54,-35.4,;47.23,-36.21,;52.55,-36.03,;53.85,-35.22,;55.21,-35.93,;55.27,-37.48,;53.96,-38.3,;52.6,-37.57,;51.29,-38.38,;49.87,-32.9,;48.39,-33.26,;47.33,-32.16,;47.76,-30.69,;49.25,-30.33,;50.3,-31.44,;51.84,-31.37,;52.83,-30.2,;54.34,-30.47,;55.33,-29.29,;45.84,-32.53,;45.41,-34.01,;44.34,-32.93,;44.77,-31.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566615 (CHEMBL4846895) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50579852 (CHEMBL5090513) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3cc(C)on3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.22,(33.12,-33.94,;34.66,-33.94,;35.42,-35.27,;34.12,-35.06,;35.39,-32.58,;36.91,-32.38,;37.19,-30.86,;35.83,-30.13,;35.62,-28.61,;34.72,-31.2,;33.21,-30.93,;32.21,-32.1,;30.7,-31.82,;29.49,-32.77,;29.54,-34.31,;28.23,-35.12,;26.88,-34.39,;25.58,-35.2,;25.62,-36.74,;26.98,-37.47,;28.29,-36.66,;30.9,-35.03,;31.11,-36.55,;32.63,-36.82,;33.3,-38.2,;33.35,-35.46,;32.29,-34.35,;28.21,-31.9,;26.73,-32.26,;25.68,-31.16,;26.11,-29.69,;27.6,-29.33,;28.65,-30.44,;30.18,-30.37,;31.17,-29.2,;32.68,-29.47,;33.67,-28.29,;24.18,-31.53,;23.75,-33.01,;22.68,-31.92,;23.12,-30.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM445524 (2-{7-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-10-11-24-25(16-22)35(26-17-23(30(2,3)36)18-31-27(24)26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50579851 (CHEMBL5084198) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.22,(13.75,-33.71,;15.3,-33.71,;16.06,-35.04,;14.76,-34.83,;16.03,-32.35,;17.55,-32.15,;17.83,-30.63,;16.47,-29.9,;16.26,-28.37,;15.36,-30.97,;13.85,-30.69,;12.85,-31.87,;11.34,-31.59,;10.13,-32.54,;10.18,-34.08,;8.87,-34.89,;7.52,-34.16,;6.22,-34.97,;6.26,-36.51,;7.62,-37.24,;8.93,-36.43,;11.54,-34.8,;12.84,-33.99,;14.19,-34.7,;14.25,-36.25,;12.94,-37.06,;11.58,-36.34,;10.27,-37.15,;8.85,-31.67,;7.37,-32.03,;6.32,-30.93,;6.75,-29.46,;8.23,-29.1,;9.29,-30.2,;10.82,-30.14,;11.81,-28.97,;13.32,-29.24,;14.31,-28.06,;4.82,-31.3,;4.39,-32.78,;3.32,-31.69,;3.75,-30.19,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM445528 (2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c2c1F)C(C)(C)O |r,wU:18.19,(5.87,4.29,;5.87,2.75,;7.24,2.05,;7,.53,;5.48,.29,;4.71,-1.04,;4.78,1.66,;3.3,2.06,;2.82,3.52,;1.31,3.84,;.28,2.7,;-1.26,2.7,;-2.29,3.84,;-3.79,3.52,;-4.27,2.06,;-3.24,.92,;-1.73,1.24,;-.49,.33,;-.49,-1.21,;.85,-1.98,;2.18,-1.21,;3.51,-1.98,;3.51,-3.52,;2.18,-4.29,;.85,-3.52,;-1.82,-1.98,;-3.15,-1.21,;-4.49,-1.98,;-4.49,-3.52,;-3.15,-4.29,;-1.82,-3.52,;.76,1.24,;2.27,.92,;2.74,-.55,;-5.76,1.66,;-6.85,2.75,;-6.16,.17,;-7.24,1.26,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)22-10-11-23-26-24(16-21(17-32-26)30(2,3)37)36(29(23)25(22)31)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50579853 (CHEMBL5075294) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](CCC)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.18,(54.77,-34.94,;56.32,-34.94,;57.07,-36.27,;55.78,-36.06,;57.04,-33.58,;58.57,-33.38,;58.84,-31.86,;57.49,-31.13,;57.28,-29.61,;56.38,-32.2,;54.86,-31.93,;53.87,-33.1,;52.35,-32.82,;51.14,-33.77,;51.2,-35.31,;49.89,-36.12,;48.54,-35.4,;47.23,-36.21,;52.55,-36.03,;53.85,-35.22,;55.21,-35.93,;55.27,-37.48,;53.96,-38.3,;52.6,-37.57,;51.29,-38.38,;49.87,-32.9,;48.39,-33.26,;47.33,-32.16,;47.76,-30.69,;49.25,-30.33,;50.3,-31.44,;51.84,-31.37,;52.83,-30.2,;54.34,-30.47,;55.33,-29.29,;45.84,-32.53,;45.41,-34.01,;44.34,-32.93,;44.77,-31.42,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM445515 (2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1cc(F)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-23(31)26-24(15-21)36(25-16-22(30(2,3)37)17-32-27(25)26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM445527 (2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wU:11.11,(5.87,4.1,;5.87,2.56,;7.24,1.86,;7,.34,;5.48,.1,;4.71,-1.23,;4.78,1.47,;3.3,1.87,;2.27,.73,;.76,1.05,;-.49,.14,;-.49,-1.4,;.85,-2.17,;2.18,-1.4,;3.51,-2.17,;3.51,-3.71,;2.18,-4.48,;.85,-3.71,;-1.82,-2.17,;-3.15,-1.4,;-4.49,-2.17,;-4.49,-3.71,;-3.15,-4.48,;-1.82,-3.71,;-1.73,1.05,;-3.24,.73,;-4.27,1.87,;-3.79,3.33,;-2.29,3.65,;-1.26,2.51,;.28,2.51,;1.31,3.65,;2.82,3.33,;3.85,4.48,;-5.76,1.47,;-6.85,2.56,;-6.16,-.02,;-7.24,1.07,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297236 (2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-methoxy-5-...) Show SMILES COc1cc2c(cc1C(C)(C)O)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-26-28(32-18-22)23-16-27(38-5)24(31(2,3)37)17-25(23)36(26)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566615 (CHEMBL4846895) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566614 (CHEMBL4848871) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297070 (5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM445527 (2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wU:11.11,(5.87,4.1,;5.87,2.56,;7.24,1.86,;7,.34,;5.48,.1,;4.71,-1.23,;4.78,1.47,;3.3,1.87,;2.27,.73,;.76,1.05,;-.49,.14,;-.49,-1.4,;.85,-2.17,;2.18,-1.4,;3.51,-2.17,;3.51,-3.71,;2.18,-4.48,;.85,-3.71,;-1.82,-2.17,;-3.15,-1.4,;-4.49,-2.17,;-4.49,-3.71,;-3.15,-4.48,;-1.82,-3.71,;-1.73,1.05,;-3.24,.73,;-4.27,1.87,;-3.79,3.33,;-2.29,3.65,;-1.26,2.51,;.28,2.51,;1.31,3.65,;2.82,3.33,;3.85,4.48,;-5.76,1.47,;-6.85,2.56,;-6.16,-.02,;-7.24,1.07,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566614 (CHEMBL4848871) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566613 (CHEMBL4864173) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297144 (2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-methoxy-5-...) Show SMILES COc1cc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-25-28(32-18-22)27-24(16-23(31(2,3)37)17-26(27)38-5)36(25)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297162 (2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297268 (2-{6-Chloro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(Cl)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566613 (CHEMBL4864173) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566610 (CHEMBL4857742) Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297146 (2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50579851 (CHEMBL5084198) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.22,(13.75,-33.71,;15.3,-33.71,;16.06,-35.04,;14.76,-34.83,;16.03,-32.35,;17.55,-32.15,;17.83,-30.63,;16.47,-29.9,;16.26,-28.37,;15.36,-30.97,;13.85,-30.69,;12.85,-31.87,;11.34,-31.59,;10.13,-32.54,;10.18,-34.08,;8.87,-34.89,;7.52,-34.16,;6.22,-34.97,;6.26,-36.51,;7.62,-37.24,;8.93,-36.43,;11.54,-34.8,;12.84,-33.99,;14.19,-34.7,;14.25,-36.25,;12.94,-37.06,;11.58,-36.34,;10.27,-37.15,;8.85,-31.67,;7.37,-32.03,;6.32,-30.93,;6.75,-29.46,;8.23,-29.1,;9.29,-30.2,;10.82,-30.14,;11.81,-28.97,;13.32,-29.24,;14.31,-28.06,;4.82,-31.3,;4.39,-32.78,;3.32,-31.69,;3.75,-30.19,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM445527 (2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wU:11.11,(5.87,4.1,;5.87,2.56,;7.24,1.86,;7,.34,;5.48,.1,;4.71,-1.23,;4.78,1.47,;3.3,1.87,;2.27,.73,;.76,1.05,;-.49,.14,;-.49,-1.4,;.85,-2.17,;2.18,-1.4,;3.51,-2.17,;3.51,-3.71,;2.18,-4.48,;.85,-3.71,;-1.82,-2.17,;-3.15,-1.4,;-4.49,-2.17,;-4.49,-3.71,;-3.15,-4.48,;-1.82,-3.71,;-1.73,1.05,;-3.24,.73,;-4.27,1.87,;-3.79,3.33,;-2.29,3.65,;-1.26,2.51,;.28,2.51,;1.31,3.65,;2.82,3.33,;3.85,4.48,;-5.76,1.47,;-6.85,2.56,;-6.16,-.02,;-7.24,1.07,)| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566612 (CHEMBL4869203) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50594425 (CHEMBL5189057) Show SMILES COC(C)(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566610 (CHEMBL4857742) Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297070 (5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297163 (2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566611 (CHEMBL4875203) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566610 (CHEMBL4857742) Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297283 (2-[8-Chloro-3-(dimethyl-1H-1,2,3-triazol-5-yl)-5-[...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(Cl)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566612 (CHEMBL4869203) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297225 (2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(1,3-dime...) Show SMILES Cc1cc([C@H](C2CCOCC2)n2c3cc(ccc3c3ncc(cc23)-c2c(C)nnn2C)C(C)(C)O)n(C)n1 |r| Show InChI InChI=1S/C29H35N7O2/c1-17-13-25(34(5)32-17)28(19-9-11-38-12-10-19)36-23-15-21(29(3,4)37)7-8-22(23)26-24(36)14-20(16-30-26)27-18(2)31-33-35(27)6/h7-8,13-16,19,28,37H,9-12H2,1-6H3/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50579852 (CHEMBL5090513) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3cc(C)on3)c3cc(cnc3c2cc1F)C(C)(C)O |r,wD:14.22,(33.12,-33.94,;34.66,-33.94,;35.42,-35.27,;34.12,-35.06,;35.39,-32.58,;36.91,-32.38,;37.19,-30.86,;35.83,-30.13,;35.62,-28.61,;34.72,-31.2,;33.21,-30.93,;32.21,-32.1,;30.7,-31.82,;29.49,-32.77,;29.54,-34.31,;28.23,-35.12,;26.88,-34.39,;25.58,-35.2,;25.62,-36.74,;26.98,-37.47,;28.29,-36.66,;30.9,-35.03,;31.11,-36.55,;32.63,-36.82,;33.3,-38.2,;33.35,-35.46,;32.29,-34.35,;28.21,-31.9,;26.73,-32.26,;25.68,-31.16,;26.11,-29.69,;27.6,-29.33,;28.65,-30.44,;30.18,-30.37,;31.17,-29.2,;32.68,-29.47,;33.67,-28.29,;24.18,-31.53,;23.75,-33.01,;22.68,-31.92,;23.12,-30.42,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566616 (CHEMBL4855116) Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(cc(F)c21)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50566610 (CHEMBL4857742) Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128108 BindingDB Entry DOI: 10.7270/Q26977BM
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50071844 (CHEMBL3410875) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C56H77N9O7/c1-32(57-9)48(66)62-46(55(3,4)5)53(71)64-30-37-27-39(26-25-36(37)28-44(64)51(69)60-42-23-15-19-34-17-11-13-21-40(34)42)59-50(68)38-29-45(52(70)61-43-24-16-20-35-18-12-14-22-41(35)43)65(31-38)54(72)47(56(6,7)8)63-49(67)33(2)58-10/h11-14,17-18,21-22,25-27,32-33,38,42-47,57-58H,15-16,19-20,23-24,28-31H2,1-10H3,(H,59,68)(H,60,69)(H,61,70)(H,62,66)(H,63,67)/t32-,33-,38-,42+,43+,44-,45-,46+,47+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay				J Med Chem 58: 1556-62 (2015) Article DOI: 10.1021/jm501482t BindingDB Entry DOI: 10.7270/Q2N29ZM8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM297312 (2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...) Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C30H29F4N5O2/c1-17-26(38(3)37-36-17)20-15-23-25(35-16-20)21-9-10-22(29(2,40)30(32,33)34)24(31)28(21)39(23)27(18-7-5-4-6-8-18)19-11-13-41-14-12-19/h4-10,15-16,19,27,40H,11-14H2,1-3H3/t27-,29?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00219 BindingDB Entry DOI: 10.7270/Q20R9TDX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50071850 (CHEMBL3410808 | US9783573, Example 3) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCCC(=O)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C60H84N10O8/c1-35(61-9)53(73)67-51(59(3,4)5)57(77)69-33-40-30-41(29-28-39(40)31-47(69)55(75)65-45-24-15-20-37-18-11-13-22-43(37)45)63-49(71)26-17-27-50(72)64-42-32-48(56(76)66-46-25-16-21-38-19-12-14-23-44(38)46)70(34-42)58(78)52(60(6,7)8)68-54(74)36(2)62-10/h11-14,18-19,22-23,28-30,35-36,42,45-48,51-52,61-62H,15-17,20-21,24-27,31-34H2,1-10H3,(H,63,71)(H,64,72)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t35-,36-,42-,45+,46+,47-,48-,51+,52+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay				J Med Chem 58: 1556-62 (2015) Article DOI: 10.1021/jm501482t BindingDB Entry DOI: 10.7270/Q2N29ZM8
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50071846 (CHEMBL3410877) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Nc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C55H77N9O6/c1-32(56-9)48(65)61-46(54(3,4)5)52(69)63-30-37-27-38(26-25-36(37)28-44(63)50(67)59-42-23-15-19-34-17-11-13-21-40(34)42)58-39-29-45(51(68)60-43-24-16-20-35-18-12-14-22-41(35)43)64(31-39)53(70)47(55(6,7)8)62-49(66)33(2)57-10/h11-14,17-18,21-22,25-27,32-33,39,42-47,56-58H,15-16,19-20,23-24,28-31H2,1-10H3,(H,59,67)(H,60,68)(H,61,65)(H,62,66)/t32-,33-,39-,42+,43+,44-,45-,46+,47+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay				J Med Chem 58: 1556-62 (2015) Article DOI: 10.1021/jm501482t BindingDB Entry DOI: 10.7270/Q2N29ZM8
					More data for this Ligand-Target Pair

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