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BDBM50229101 5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N,2-dimethyl-N-(2-(methylamino)ethyl)benzamide::CHEMBL254269

SMILES: CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C

InChI Key: InChIKey=KOCGMVOWSRIEAZ-UHFFFAOYSA-N

Data: 4 IC50

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 = 50229101   
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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50229101
PNG
(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N...)
Show SMILES CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
Show InChI InChI=1S/C20H22BrN5OS2/c1-13-7-8-14(11-15(13)19(27)26(3)10-9-22-2)28-18-12-23-20(29-18)25-17-6-4-5-16(21)24-17/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24,25)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 18: 634-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.076
BindingDB Entry DOI: 10.7270/Q2JD4WJ5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50229101
PNG
(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N...)
Show SMILES CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
Show InChI InChI=1S/C20H22BrN5OS2/c1-13-7-8-14(11-15(13)19(27)26(3)10-9-22-2)28-18-12-23-20(29-18)25-17-6-4-5-16(21)24-17/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24,25)
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TrkA


Bioorg Med Chem Lett 18: 634-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.076
BindingDB Entry DOI: 10.7270/Q2JD4WJ5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50229101
PNG
(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N...)
Show SMILES CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
Show InChI InChI=1S/C20H22BrN5OS2/c1-13-7-8-14(11-15(13)19(27)26(3)10-9-22-2)28-18-12-23-20(29-18)25-17-6-4-5-16(21)24-17/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Met


Bioorg Med Chem Lett 18: 634-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.076
BindingDB Entry DOI: 10.7270/Q2JD4WJ5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50229101
PNG
(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-N...)
Show SMILES CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
Show InChI InChI=1S/C20H22BrN5OS2/c1-13-7-8-14(11-15(13)19(27)26(3)10-9-22-2)28-18-12-23-20(29-18)25-17-6-4-5-16(21)24-17/h4-8,11-12,22H,9-10H2,1-3H3,(H,23,24,25)
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NCI pathway
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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 634-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.076
BindingDB Entry DOI: 10.7270/Q2JD4WJ5
More data for this
Ligand-Target Pair