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SMILES: CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(Cl)cc13)C2

InChI Key:

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50563641   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50563641
PNG
(CHEMBL4744243)
Show SMILES CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(Cl)cc13)C2 |(43.22,-48.73,;41.68,-48.73,;40.91,-50.06,;41.68,-51.39,;39.37,-50.05,;38.47,-48.8,;37,-49.27,;37,-50.81,;38.46,-51.29,;38.92,-52.75,;40.46,-52.75,;39.69,-54.09,;37.9,-53.9,;35.75,-48.36,;35.76,-46.82,;34.3,-46.34,;33.39,-47.59,;34.29,-48.83,;33.81,-50.3,;32.3,-50.61,;31.28,-49.46,;31.76,-48,;29.77,-49.78,;29.14,-51.17,;27.61,-51.01,;27.3,-49.51,;25.96,-48.75,;25.96,-47.2,;27.29,-46.43,;27.29,-44.89,;28.63,-47.19,;28.63,-48.74,;34.69,-47.82,)|
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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6/TEV fused-GST-tagged Flt3 (unknown origin) (H564 to S993 residues) using Axltide (CKKSRGDYMTMQJ-acid) peptide as substrate preincu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50563641
PNG
(CHEMBL4744243)
Show SMILES CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(Cl)cc13)C2 |(43.22,-48.73,;41.68,-48.73,;40.91,-50.06,;41.68,-51.39,;39.37,-50.05,;38.47,-48.8,;37,-49.27,;37,-50.81,;38.46,-51.29,;38.92,-52.75,;40.46,-52.75,;39.69,-54.09,;37.9,-53.9,;35.75,-48.36,;35.76,-46.82,;34.3,-46.34,;33.39,-47.59,;34.29,-48.83,;33.81,-50.3,;32.3,-50.61,;31.28,-49.46,;31.76,-48,;29.77,-49.78,;29.14,-51.17,;27.61,-51.01,;27.3,-49.51,;25.96,-48.75,;25.96,-47.2,;27.29,-46.43,;27.29,-44.89,;28.63,-47.19,;28.63,-48.74,;34.69,-47.82,)|
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 631n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged Tyro3 (unknown origin) (453 to 890 residues) using Axltide (KKSRGDYMTMQIG-acid) peptide as substrate preincubated for 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50563641
PNG
(CHEMBL4744243)
Show SMILES CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(Cl)cc13)C2 |(43.22,-48.73,;41.68,-48.73,;40.91,-50.06,;41.68,-51.39,;39.37,-50.05,;38.47,-48.8,;37,-49.27,;37,-50.81,;38.46,-51.29,;38.92,-52.75,;40.46,-52.75,;39.69,-54.09,;37.9,-53.9,;35.75,-48.36,;35.76,-46.82,;34.3,-46.34,;33.39,-47.59,;34.29,-48.83,;33.81,-50.3,;32.3,-50.61,;31.28,-49.46,;31.76,-48,;29.77,-49.78,;29.14,-51.17,;27.61,-51.01,;27.3,-49.51,;25.96,-48.75,;25.96,-47.2,;27.29,-46.43,;27.29,-44.89,;28.63,-47.19,;28.63,-48.74,;34.69,-47.82,)|
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
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PDB
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His/thrombin cleavage site-fused Avi-tagged dephosphorylated MER (unknown origin) (R528 to M999 residues) using Axltide (CKKSRGDYMTMQJ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50563641
PNG
(CHEMBL4744243)
Show SMILES CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(Cl)cc13)C2 |(43.22,-48.73,;41.68,-48.73,;40.91,-50.06,;41.68,-51.39,;39.37,-50.05,;38.47,-48.8,;37,-49.27,;37,-50.81,;38.46,-51.29,;38.92,-52.75,;40.46,-52.75,;39.69,-54.09,;37.9,-53.9,;35.75,-48.36,;35.76,-46.82,;34.3,-46.34,;33.39,-47.59,;34.29,-48.83,;33.81,-50.3,;32.3,-50.61,;31.28,-49.46,;31.76,-48,;29.77,-49.78,;29.14,-51.17,;27.61,-51.01,;27.3,-49.51,;25.96,-48.75,;25.96,-47.2,;27.29,-46.43,;27.29,-44.89,;28.63,-47.19,;28.63,-48.74,;34.69,-47.82,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged AXL (unknown origin) (464 to 485 residues) using Axltide (CKKSRGDYMTMQJG-acid) peptide as substrate preincubated for 30 mins...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair