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Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'amaro' and Initial = 're'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CBP by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50571557
PNG
(CHEMBL4853072)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM188517
PNG
(PF-CBP1)
Show SMILES CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CBP (unknown origin) by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
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n/an/a 159n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571553
PNG
(CHEMBL4859434)
Show SMILES CCOc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
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n/an/a 214n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571551
PNG
(CHEMBL4875068)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC(C)C)-c2c(C)noc2C)cc1
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151661
PNG
(CHEMBL3752296)
Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
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n/an/a 323n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CBP (unknown origin) by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50571549
PNG
(CHEMBL4878741)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NCCN2CCOCC2)-c2c(C)noc2C)cc1
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TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


J Med Chem 51: 3878-94 (2008)


Article DOI: 10.1021/jm8001197
BindingDB Entry DOI: 10.7270/Q21J9DKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50571542
PNG
(CHEMBL4878894)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC34CC5CC(CC(C5)C3)C4)c(CCc3ccccc3)nc2c1 |TLB:22:13:20:16.17.18,12:13:20:16.17.18,THB:22:17:14.13.21:20,18:17:14:21.19.20,18:19:14:16.22.17|
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n/an/a 507n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571544
PNG
(CHEMBL4877061)
Show SMILES Cc1[nH]nc2cc(ccc12)-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
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n/an/a 510n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571554
PNG
(CHEMBL4875619)
Show SMILES CCCOc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
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n/an/a 633n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571541
PNG
(CHEMBL4848215)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
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n/an/a 718n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571566
PNG
(CHEMBL4876541)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1OC
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n/an/a 750n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571548
PNG
(CHEMBL4864701)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC23CC4CC(CC(C4)C2)C3)-c2c(C)noc2C)cc1 |TLB:27:18:25:21.22.23,17:18:25:21.22.23,THB:27:22:19.18.26:25,23:22:19:26.24.25,23:24:19:21.27.22|
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n/an/a 923n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571547
PNG
(CHEMBL4848135)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC(C)(C)C)c(CCc3ccccc3)nc2c1
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n/an/a 950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571538
PNG
(CHEMBL4868314)
Show SMILES COc1ccc(cc1)-c1nc2cc(ccn2c1NCC(=O)OC(C)(C)C)-c1c(C)noc1C
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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571556
PNG
(CHEMBL4863302)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NCc2ccc(Cl)cc2)-c2c(C)noc2C)cc1
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571546
PNG
(CHEMBL4864355)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC(C)(C)CC(C)(C)C)c(CCc3ccccc3)nc2c1
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n/an/a 1.88E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571555
PNG
(CHEMBL4861811)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NCc2ccccc2)-c2c(C)noc2C)cc1
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n/an/a 1.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571536
PNG
(CHEMBL4846628)
Show SMILES COc1ccc(cc1)-c1nc2cc(ccn2c1NC12CC3CC(CC(C3)C1)C2)-c1c(C)noc1C |TLB:27:18:25:21.22.23,17:18:25:21.22.23,THB:27:22:19.18.26:25,23:22:19:26.24.25,23:24:19:21.27.22|
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n/an/a 2.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571552
PNG
(CHEMBL4865121)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC(C)(C)C)-c2c(C)noc2C)cc1
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n/an/a 2.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571563
PNG
(CHEMBL4866716)
Show SMILES CCOc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
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n/an/a 2.53E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571546
PNG
(CHEMBL4864355)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC(C)(C)CC(C)(C)C)c(CCc3ccccc3)nc2c1
PDB

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n/an/a 2.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571538
PNG
(CHEMBL4868314)
Show SMILES COc1ccc(cc1)-c1nc2cc(ccn2c1NCC(=O)OC(C)(C)C)-c1c(C)noc1C
PDB

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n/an/a 2.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571545
PNG
(CHEMBL4861666)
Show SMILES Cc1noc2cc(ccc12)-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
PDB

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n/an/a 3.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571542
PNG
(CHEMBL4878894)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC34CC5CC(CC(C5)C3)C4)c(CCc3ccccc3)nc2c1 |TLB:22:13:20:16.17.18,12:13:20:16.17.18,THB:22:17:14.13.21:20,18:17:14:21.19.20,18:19:14:16.22.17|
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n/an/a 3.38E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571549
PNG
(CHEMBL4878741)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NCCN2CCOCC2)-c2c(C)noc2C)cc1
PDB

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n/an/a 3.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571567
PNG
(CHEMBL4847433)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC(C)C)-c2c(C)noc2C)cc1OC
PDB
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n/an/a 3.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571559
PNG
(CHEMBL4867415)
Show SMILES COc1ccc(CCCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB
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n/an/a 4.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571557
PNG
(CHEMBL4853072)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
PDB

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n/an/a 5.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571547
PNG
(CHEMBL4848135)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC(C)(C)C)c(CCc3ccccc3)nc2c1
PDB

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n/an/a 5.63E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571558
PNG
(CHEMBL4864902)
Show SMILES COc1ccc(Cc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB
MMDB

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n/an/a 6.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571566
PNG
(CHEMBL4876541)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1OC
PDB

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n/an/a 6.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571553
PNG
(CHEMBL4859434)
Show SMILES CCOc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB

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n/an/a 6.48E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB

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n/an/a 6.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571548
PNG
(CHEMBL4864701)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC23CC4CC(CC(C4)C2)C3)-c2c(C)noc2C)cc1 |TLB:27:18:25:21.22.23,17:18:25:21.22.23,THB:27:22:19.18.26:25,23:22:19:26.24.25,23:24:19:21.27.22|
PDB

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n/an/a 7.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571541
PNG
(CHEMBL4848215)
Show SMILES Cc1noc(C)c1-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
PDB

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n/an/a 7.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571543
PNG
(CHEMBL4855910)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
PDB

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n/an/a 7.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571540
PNG
(CHEMBL4854416)
Show SMILES Cc1noc(C)c1-c1ccn2c(NCC(=O)OC(C)(C)C)c(CCc3ccccc3)nc2c1
PDB
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n/an/a 7.83E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571556
PNG
(CHEMBL4863302)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NCc2ccc(Cl)cc2)-c2c(C)noc2C)cc1
PDB

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n/an/a 7.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
PDB

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n/an/a 7.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50571544
PNG
(CHEMBL4877061)
Show SMILES Cc1[nH]nc2cc(ccc12)-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
PDB
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n/an/a 8.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571543
PNG
(CHEMBL4855910)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1ccn2c(NC3CCCCC3)c(CCc3ccccc3)nc2c1
PDB
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n/an/a 8.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571555
PNG
(CHEMBL4861811)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NCc2ccccc2)-c2c(C)noc2C)cc1
PDB

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n/an/a 8.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50571564
PNG
(CHEMBL4870369)
Show SMILES COc1ccc(CCCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
PDB
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n/an/a 8.96E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571551
PNG
(CHEMBL4875068)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC(C)C)-c2c(C)noc2C)cc1
PDB

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n/an/a 1.01E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571558
PNG
(CHEMBL4864902)
Show SMILES COc1ccc(Cc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB

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n/an/a 1.12E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50571559
PNG
(CHEMBL4867415)
Show SMILES COc1ccc(CCCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
PDB

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n/an/a 1.23E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
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