Compile Data Set for Download or QSAR

Found 90 hits of ic50 for UniProtKB: P25440   

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 2 [91-163] (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) | US10407441, Compound (R)-JQ1 | US10...) Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical,...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TT4V40
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313777 (US10167292, Example 12) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1 Show InChI InChI=1S/C21H18ClN7/c1-13-20-18-7-2-14(15-11-24-21(23)25-12-15)10-19(18)28(8-9-29(20)27-26-13)17-5-3-16(22)4-6-17/h2-7,10-12H,8-9H2,1H3,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313778 (US10167292, Example 13) Show SMILES C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r| Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313779 (US10167292, Example 16) Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r| Show InChI InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)17-6-4-3-5-16(17)18-13(2)20-21-23(12)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313784 (US10167292, Example 24) Show SMILES Cc1nnn2CCN(c3cccc(c3)C(O)CO)c3ccccc3-c12 Show InChI InChI=1S/C19H20N4O2/c1-13-19-16-7-2-3-8-17(16)22(9-10-23(19)21-20-13)15-6-4-5-14(11-15)18(25)12-24/h2-8,11,18,24-25H,9-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313789 (US10167292, Example 33) Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313791 (US10167292, Example 35) Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313792 (US10167292, Example 36) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H20ClN5O/c1-16-23-21-12-7-17(24(31)26-19-5-3-2-4-6-19)15-22(21)29(13-14-30(23)28-27-16)20-10-8-18(25)9-11-20/h2-12,15H,13-14H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313795 (US10167292, Example 39) Show SMILES C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313796 (US10167292, Example 40) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H20ClN5O3S/c1-16-23-21-12-7-17(24(31)27-34(32,33)20-5-3-2-4-6-20)15-22(21)29(13-14-30(23)28-26-16)19-10-8-18(25)9-11-19/h2-12,15H,13-14H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313797 (US10167292, Example 41) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C19H18ClN5O3S/c1-12-18-16-8-3-13(19(26)22-29(2,27)28)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313798 (US10167292, Example 42) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(N)=O Show InChI InChI=1S/C18H16ClN5O/c1-11-17-15-7-2-12(18(20)25)10-16(15)23(8-9-24(17)22-21-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H2,20,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313799 (US10167292, Example 43) Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccccc3)c2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN5O/c1-17(19-8-11-21(27)12-9-19)28-26(33)20-10-13-23-24(16-20)31(22-6-4-3-5-7-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313800 (US10167292, Example 44) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NO Show InChI InChI=1S/C18H16ClN5O2/c1-11-17-15-7-2-12(18(25)21-26)10-16(15)23(8-9-24(17)22-20-11)14-5-3-13(19)4-6-14/h2-7,10,26H,8-9H2,1H3,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313801 (US10167292, Example 45) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NOCCO Show InChI InChI=1S/C20H20ClN5O3/c1-13-19-17-7-2-14(20(28)23-29-11-10-27)12-18(17)25(8-9-26(19)24-22-13)16-5-3-15(21)4-6-16/h2-7,12,27H,8-11H2,1H3,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313802 (US10167292, Example 46) Show SMILES CONC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C19H18ClN5O2/c1-12-18-16-8-3-13(19(26)22-27-2)11-17(16)24(9-10-25(18)23-21-12)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313803 (US10167292, Example 47) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C#N Show InChI InChI=1S/C18H14ClN5/c1-12-18-16-7-2-13(11-20)10-17(16)23(8-9-24(18)22-21-12)15-5-3-14(19)4-6-15/h2-7,10H,8-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313804 (US10167292, Example 48) Show SMILES CON(C)C(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C20H20ClN5O2/c1-13-19-17-9-4-14(20(27)24(2)28-3)12-18(17)25(10-11-26(19)23-22-13)16-7-5-15(21)6-8-16/h4-9,12H,10-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313805 (US10167292, Example 49) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1noc(=O)[nH]1 Show InChI InChI=1S/C19H15ClN6O2/c1-11-17-15-7-2-12(18-21-19(27)28-23-18)10-16(15)25(8-9-26(17)24-22-11)14-5-3-13(20)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313807 (US10167292, Example 51B) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1 Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313775 (US10167292, Example 10) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1 Show InChI InChI=1S/C20H17ClN6/c1-13-20-17-7-2-14(18-8-9-22-24-18)12-19(17)26(10-11-27(20)25-23-13)16-5-3-15(21)4-6-16/h2-9,12H,10-11H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313773 (US10167292, Example 7) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1 Show InChI InChI=1S/C23H20ClN5/c1-15-3-4-18(14-25-15)17-5-10-21-22(13-17)28(20-8-6-19(24)7-9-20)11-12-29-23(21)16(2)26-27-29/h3-10,13-14H,11-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313774 (US10167292, Example 8) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1 Show InChI InChI=1S/C22H19ClN6/c1-14-22-19-8-2-15(16-3-9-21(24)25-13-16)12-20(19)28(10-11-29(22)27-26-14)18-6-4-17(23)5-7-18/h2-9,12-13H,10-11H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543570 (US11279703, TABLE 6.159 | US11643396, Example SG4-...) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(C)c(Nc3ccc4CCN(c4c3)S(=O)(=O)C(C)(C)C)n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543481 (US11279703, TABLE 6.351 | US11279703, TABLE 6.353 ...) Show SMILES CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543479 (US11279703, TABLE 6.289 | US11279703, TABLE 6.296 ...) Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543776 (US11279703, TABLE 6.366 | US11279703, TABLE 6.388) Show SMILES CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3cc4CC5CNCCN5c4c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543569 (US11279703, TABLE 6.158 | US11279703, TABLE 6.169 ...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4CCN(c4c3)S(=O)(=O)C(C)(C)C)n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543757 (US11279703, TABLE 6.347) Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543638 (US11279703, TABLE 6.227) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543682 (US11279703, TABLE 6.271) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	318	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543776 (US11279703, TABLE 6.366 | US11279703, TABLE 6.388) Show SMILES CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3cc4CC5CNCCN5c4c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543789 (US11279703, TABLE 6.379 | US11279703, TABLE 6.380) Show SMILES CNC1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543795 (US11279703, TABLE 6.385 | US11279703, TABLE 6.386) Show SMILES CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)N4CCNCC4)c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	369	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543516 (US11279703, TABLE 6.119 | US11279703, TABLE 6.128 ...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543789 (US11279703, TABLE 6.379 | US11279703, TABLE 6.380) Show SMILES CNC1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543516 (US11279703, TABLE 6.119 | US11279703, TABLE 6.128 ...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543516 (US11279703, TABLE 6.119 | US11279703, TABLE 6.128 ...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543480 (US11279703, TABLE 6.126 | US11279703, TABLE 6.160 ...) Show SMILES CC(C)(C)S(=O)(=O)Nc1cccc(Nc2nc(NC3CCNCC3)nc3sccc23)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543677 (US11279703, TABLE 6.266) Show SMILES CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543795 (US11279703, TABLE 6.385 | US11279703, TABLE 6.386) Show SMILES CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)N4CCNCC4)c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543797 (US11279703, TABLE 6.387) Show SMILES CC(C)(C)S(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc4C5CNCCN5CCc4c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	489	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543629 (US11279703, TABLE 6.218 | US11279703, TABLE 6.263) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543756 (US11279703, TABLE 6.346) Show SMILES CC(C)(C)S(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	506	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM543684 (US11279703, TABLE 6.273) Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)ccc1N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1. Add 20 μl of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 μl of the enzyme to each well ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T43X8B
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313771 (US10167292, Example 5) Show SMILES Cc1nnn2CCN(c3ccccc3)c3ccccc3-c12 Show InChI InChI=1S/C17H16N4/c1-13-17-15-9-5-6-10-16(15)20(11-12-21(17)19-18-13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313776 (US10167292, Example 11) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12 Show InChI InChI=1S/C17H15ClN4/c1-12-17-15-4-2-3-5-16(15)21(10-11-22(17)20-19-12)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313780 (US10167292, Example 20) Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(Cn4cccn4)ccc3-c12 Show InChI InChI=1S/C21H19ClN6/c1-15-21-19-8-3-16(14-26-10-2-9-23-26)13-20(19)27(11-12-28(21)25-24-15)18-6-4-17(22)5-7-18/h2-10,13H,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 [91-163] (Homo sapiens (Human))	BDBM313781 (US10167292, Example 21) Show SMILES Cc1nnn2C(CCO)CN(c3ccc(Cl)cc3)c3ccccc3-c12 Show InChI InChI=1S/C19H19ClN4O/c1-13-19-17-4-2-3-5-18(17)23(15-8-6-14(20)7-9-15)12-16(10-11-25)24(19)22-21-13/h2-9,16,25H,10-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Catalyst Therapeutics Pty Ltd. US Patent					Assay Description BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target p...				US Patent US10167292 (2019) BindingDB Entry DOI: 10.7270/Q2765HFS
					More data for this Ligand-Target Pair

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