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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 7' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 7


(Homo sapiens)
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
PDB
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Article
PubMed
2.72E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human BRD7 after 1 hr by fluorescence anisotropy assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens)
BDBM50443233
PNG
(CHEMBL3087052)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
PDB
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Article
PubMed
3.54E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS226 from recombinant human BRD7 after 1 hr by fluorescence anisotropy assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/s2
PDB
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antibodypedia
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CHEMBL
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Article
PubMed
n/an/a<1.30n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 by BROMOscan assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens)
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
PDB
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PubMed
n/an/an/a 3.16E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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Article
PubMed
n/an/an/a 3.16E+4n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to BRD7 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens)
BDBM50147620
PNG
(CHEMBL3769507)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


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AffyNet 
n/an/an/a 398n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair