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SMILES: Clc1cc(NC(=O)Nc2ccncc2)ccn1

InChI Key: InChIKey=HFIPFTAKXMECCX-UHFFFAOYSA-N

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 6 hits for monomerid = 50469323   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
PDB
MMDB

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PubMed
n/an/an/a 280n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells by ITC method


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His10-tagged ZZ-HCV3C-BRM ATPase-SnAC (636 to 1331 residues) (unknown origin) expressed in insect sf9 cells preincubated fo...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
PDB

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n/an/an/a 87n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal avi-tagged BRM ATPase-SnAC domain (unknown origin) in absence of ADP by SPR assay


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 450n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal avi-tagged BRM ATPase-SnAC domain (unknown origin) in presence of ADP by SPR assay


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins ...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50469323
PNG
(CHEMBL4290675)
Show SMILES Clc1cc(NC(=O)Nc2ccncc2)ccn1
Show InChI InChI=1S/C11H9ClN4O/c12-10-7-9(3-6-14-10)16-11(17)15-8-1-4-13-5-2-8/h1-7H,(H2,13,14,15,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of full length BRM ATPase (1 to 1572 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins followed by pCMV-dR8...


J Med Chem 61: 10155-10172 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01318
BindingDB Entry DOI: 10.7270/Q2TH8QDB
More data for this
Ligand-Target Pair