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BDBM50157646 CHEMBL216146

SMILES: Cn1c2ccccc2ccc1=O

InChI Key: InChIKey=QYEMNJMSULGQRD-UHFFFAOYSA-N

Data: 4 KI  5 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50157646   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peregrin


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human PCAF expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a 7.30E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of human ATAD2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay


J Med Chem 60: 668-680 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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45n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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n/an/an/a 5.00E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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84n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50157646
PNG
(CHEMBL216146)
Show SMILES Cn1c2ccccc2ccc1=O
Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
PDB
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair