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BDBM50271906 2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine::6-benzyl-N4-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::CHEMBL499344

SMILES: Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1

InChI Key: InChIKey=ZCULMARKDXJUJE-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50271906   
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


(Mus musculus)
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor-mediated proliferation of mouse NIH/3T3 cells after 48 hrs by MTT assay


J Med Chem 52: 4981-5004 (2010)


Article DOI: 10.1021/jm9002395
BindingDB Entry DOI: 10.7270/Q2P84CTD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
BindingDB Entry DOI: 10.7270/Q29Z95W6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Mus musculus)
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of IGF1R-mediated proliferation of mouse NIH/3T3 cells after 48 hrs by MTT assay


J Med Chem 52: 4981-5004 (2010)


Article DOI: 10.1021/jm9002395
BindingDB Entry DOI: 10.7270/Q2P84CTD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
BindingDB Entry DOI: 10.7270/Q29Z95W6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
BindingDB Entry DOI: 10.7270/Q29Z95W6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem 20: 2444-54 (2012)


Article DOI: 10.1016/j.bmc.2012.01.029
BindingDB Entry DOI: 10.7270/Q2XK8G14
More data for this
Ligand-Target Pair