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SMILES: NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1

InChI Key:

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 11 hits for monomerid = 50585195   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by ra...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused MARK3 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused MARK4 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused TYK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TTBK1 (1 to 479 residues) using Casein as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ERBB2 (676 to 1255 residues) using poly(Glu:Tyr) as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK2


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK2 (1to 306 residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused CSF1R (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 276n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TYK2 (875 to end residues) using GGMEDIYFEFMGGKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair