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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'meng' and Initial = 'lq'   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PARP2 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586866
PNG
(CHEMBL5086559)
Show SMILES COc1cc(ccc1N(C)c1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586860
PNG
(CHEMBL5092812)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 53n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD3 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 83n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 89n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 101n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 112n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD2 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 123n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD3 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586864
PNG
(CHEMBL5085356)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 127n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 129n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD3 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586855
PNG
(CHEMBL5076077)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586871
PNG
(CHEMBL5094534)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3cccc(c3)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 155n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 157n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 166n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD3 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 168n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD2 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586867
PNG
(CHEMBL5085883)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(Cc4nc5c(cccc5[nH]4)C(N)=O)cc3OC)ncc2N(C)C1=O |r|
PDB

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n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586866
PNG
(CHEMBL5086559)
Show SMILES COc1cc(ccc1N(C)c1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 202n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586870
PNG
(CHEMBL5094051)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(C)c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 236n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586855
PNG
(CHEMBL5076077)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
PDB

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n/an/a 237n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586864
PNG
(CHEMBL5085356)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586869
PNG
(CHEMBL5071405)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(CC(=O)NCc4nc5c(cccc5[nH]4)C(N)=O)cc3OC)ncc2N(C)C1=O |r|
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n/an/a 276n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586861
PNG
(CHEMBL5089076)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 306n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 325n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRDT BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586856
PNG
(CHEMBL5083420)
Show SMILES CC[C@H]1N(Cc2ccc(C)s2)c2nc(Nc3ccc(cc3OC)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 338n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586868
PNG
(CHEMBL5094572)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NCc3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 341n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586867
PNG
(CHEMBL5085883)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(Cc4nc5c(cccc5[nH]4)C(N)=O)cc3OC)ncc2N(C)C1=O |r|
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n/an/a 355n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586868
PNG
(CHEMBL5094572)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NCc3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 374n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 381n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD2 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 392n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD2 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586857
PNG
(CHEMBL5077940)
Show SMILES CC[C@H]1N(Cc2ccccc2)c2nc(Nc3ccc(cc3OC)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 461n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586869
PNG
(CHEMBL5071405)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(CC(=O)NCc4nc5c(cccc5[nH]4)C(N)=O)cc3OC)ncc2N(C)C1=O |r|
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n/an/a 498n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586859
PNG
(CHEMBL5094021)
Show SMILES CC[C@H]1N(Cc2ccc(OC)cc2OC)c2nc(Nc3ccc(cc3OC)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 588n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRDT BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586871
PNG
(CHEMBL5094534)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3cccc(c3)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 693n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50586860
PNG
(CHEMBL5092812)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 842n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRDT BD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRDT BD2 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586858
PNG
(CHEMBL5077464)
Show SMILES CC[C@H]1N(Cc2cccc(c2)C(F)(F)F)c2nc(Nc3ccc(cc3OC)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 1.76E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586863
PNG
(CHEMBL5092201)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 1.83E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 2.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PLK1 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo luminescence kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50586862
PNG
(CHEMBL5083406)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC(C)C)-c3nc4c(cccc4[nH]3)C(N)=O)ncc2N(C)C1=O |r|
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n/an/a 2.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 1.94E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of P300 (unknown orign) using acetyl-CoA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by micro...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
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n/an/a 3.65E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-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
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n/an/a 4.45E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant BRD1 (unknown origin) incubated for 120 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50586865
PNG
(CHEMBL5084388)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.94E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of P300 (unknown orign) using acetyl-CoA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by micro...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01535
BindingDB Entry DOI: 10.7270/Q22N566V
More data for this
Ligand-Target Pair