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BDBM50051308 (3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-amine::CHEMBL306315

SMILES: Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1

InChI Key: InChIKey=XOWGESNQLHDSON-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50051308   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...


Bioorg Med Chem 21: 1857-64 (2013)


Article DOI: 10.1016/j.bmc.2013.01.040
BindingDB Entry DOI: 10.7270/Q2NS0W97
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase c-Src


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair