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BDBM50248230 CHEMBL474543::N-(4-(benzo[d]thiazol-2-yl)phenyl)-7-chloroquinolin-4-amine

SMILES: Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1

InChI Key: InChIKey=IFTCXKUSJMWVRD-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50248230   
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 receptor


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 2.70E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 750n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of TIE2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 630n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 5.30E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 860n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 640n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 5.70E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair