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BDBM50097940 2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-amino)-ethanol::CHEMBL168550

SMILES: COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12

InChI Key: InChIKey=TWUSYQHQSFRUMW-UHFFFAOYSA-N

Data: 4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50097940   
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
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts


Bioorg Med Chem Lett 11: 849-52 (2001)


Article DOI: 10.1016/s0960-894x(01)00079-8
BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


Article DOI: 10.1016/s0960-894x(01)00079-8
BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


Article DOI: 10.1016/s0960-894x(01)00079-8
BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097940
PNG
(2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...)
Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12
Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


Article DOI: 10.1016/s0960-894x(01)00079-8
BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair