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PubMed code 26702435

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
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Article
PubMed
n/an/a 263n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
PDB
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Article
PubMed
n/an/a 411n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
PDB

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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to PB1A (domain start/stop: S613-D734) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
PDB
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Article
PubMed
n/an/a 648n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Protein polybromo-1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/an/a 48n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Reverse ITC (compound as receptor). Domain start/stop: S613-D734


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50266286
PNG
(CHEMBL4650213)
Show SMILES Oc1ccccc1C(=O)C=CN1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1S/C21H15N3O3/c1-22-16-10-9-13(11-17(16)23(2)21(22)27)24-19(25)14-7-3-5-12-6-4-8-15(18(12)14)20(24)26/h3-11H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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Article
PubMed
n/an/an/a 89n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Reverse ITC (compound as receptor). Domain start/stop: L1451-E1580


Sci Adv 1: (2015)


Article DOI: 10.1126/sciadv.1500723
BindingDB Entry DOI: 10.7270/Q2S75KX6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%