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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'loomes' and Initial = 'km'   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604593
PNG
(CHEMBL5171062)
Show SMILES CCS(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604616
PNG
(CHEMBL5206375)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CC1
PDB

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n/an/a 0.340n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604589
PNG
(CHEMBL5171510)
Show SMILES Cc1cc(cc(C)c1OCCO)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
PDB

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n/an/a 0.390n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604610
PNG
(CHEMBL5171031)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1ccc(CCCO)cc1
PDB

KEGG

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UniChem
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n/an/a 0.410n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604602
PNG
(CHEMBL5176955)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

KEGG

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UniChem
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n/an/a 0.430n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604601
PNG
(CHEMBL5177436)
Show SMILES Cc1cc(cc(C)c1OCCO)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(ccc1Oc1ccc(F)cc1F)C(C)(C)O
PDB

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n/an/a 0.450n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604627
PNG
(CHEMBL5192071)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCOCC1)C(C)(C)O
PDB

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n/an/a 0.460n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604611
PNG
(CHEMBL5175082)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(CCCO)c(C)c1
PDB

KEGG

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UniChem
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n/an/a 0.490n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604602
PNG
(CHEMBL5176955)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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n/an/a 0.490n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604614
PNG
(CHEMBL5172345)
Show SMILES CCc1ncc([nH]1)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
PDB

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UniChem
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604612
PNG
(CHEMBL5209398)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc[nH]1
PDB

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n/an/a 0.510n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604623
PNG
(CHEMBL5205742)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCC1)C(C)(C)O
PDB

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n/an/a 0.520n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604596
PNG
(CHEMBL5202705)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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UniChem
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n/an/a 0.520n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604613
PNG
(CHEMBL5171591)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc(C)[nH]1
PDB

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UniChem
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n/an/a 0.530n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604615
PNG
(CHEMBL5199360)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C(C)C
PDB

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UniChem
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n/an/a 0.540n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604593
PNG
(CHEMBL5171062)
Show SMILES CCS(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604609
PNG
(CHEMBL5184079)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1ccc(OCCO)cc1
PDB

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UniChem
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n/an/a 0.560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604588
PNG
(CHEMBL5200542)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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UniChem
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n/an/a 0.560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604594
PNG
(CHEMBL5191078)
Show SMILES CC(C)S(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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n/an/a 0.570n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604622
PNG
(CHEMBL5178480)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CC1)C(C)(C)O
PDB

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UniChem
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n/an/a 0.590n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604588
PNG
(CHEMBL5200542)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604620
PNG
(CHEMBL5180474)
Show SMILES CCc1ncc([nH]1)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
PDB

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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604626
PNG
(CHEMBL5186717)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCOC1)C(C)(C)O
PDB

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UniChem
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604594
PNG
(CHEMBL5191078)
Show SMILES CC(C)S(=O)(=O)Cc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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n/an/a 0.620n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604609
PNG
(CHEMBL5184079)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1ccc(OCCO)cc1
PDB

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n/an/a 0.620n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM439497
PNG
(US10633379, Example 35 | US10633379, Example 82)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
PDB

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UniChem
Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604591
PNG
(CHEMBL5206261)
Show SMILES CCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604621
PNG
(CHEMBL5173426)
Show SMILES CC(C)c1ncc([nH]1)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
PDB

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n/an/a 0.680n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604616
PNG
(CHEMBL5206375)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CC1
PDB

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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604597
PNG
(CHEMBL5190094)
Show SMILES CCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604611
PNG
(CHEMBL5175082)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(CCCO)c(C)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604610
PNG
(CHEMBL5171031)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1ccc(CCCO)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604589
PNG
(CHEMBL5171510)
Show SMILES Cc1cc(cc(C)c1OCCO)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604613
PNG
(CHEMBL5171591)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc(C)[nH]1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604624
PNG
(CHEMBL5206088)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1)C(C)(C)O
PDB

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n/an/a 0.790n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604607
PNG
(CHEMBL5176176)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604596
PNG
(CHEMBL5202705)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM439497
PNG
(US10633379, Example 35 | US10633379, Example 82)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604618
PNG
(CHEMBL5205435)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604628
PNG
(CHEMBL5199676)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCc1ccccc1
PDB

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n/an/a 0.920n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM439497
PNG
(US10633379, Example 35 | US10633379, Example 82)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604591
PNG
(CHEMBL5206261)
Show SMILES CCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604590
PNG
(CHEMBL5196207)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cc(C)c(OCCO)c(C)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604617
PNG
(CHEMBL5173301)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604615
PNG
(CHEMBL5199360)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C(C)C
PDB

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n/an/a 0.950n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604600
PNG
(CHEMBL5189967)
Show SMILES Cc1cc(cc(C)c1OCCO)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(CO)ccc1Oc1ccc(F)cc1F
PDB

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n/an/a 0.980n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604592
PNG
(CHEMBL5174374)
Show SMILES Cc1cc(cc(C)c1OCCO)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(NS(=O)(=O)C2CC2)ccc1Oc1ccc(F)cc1F
PDB

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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604592
PNG
(CHEMBL5174374)
Show SMILES Cc1cc(cc(C)c1OCCO)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(NS(=O)(=O)C2CC2)ccc1Oc1ccc(F)cc1F
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604614
PNG
(CHEMBL5172345)
Show SMILES CCc1ncc([nH]1)-c1cc2c(o1)c(cn(C)c2=O)-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50604612
PNG
(CHEMBL5209398)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2cc(oc12)-c1cnc[nH]1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
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