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BDBM50092224 3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclopentanol::CHEMBL69129

SMILES: Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1

InChI Key: InChIKey=UJWXPHLWGVGIBB-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50092224   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 5n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 1 mM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Zap 70

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 85n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 58n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of tie-2 at 5 uM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase at 5 uM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 3.30E+4n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of CDC2/CyB

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 544n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50092224
PNG
(3-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyri...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1
Show InChI InChI=1S/C23H22N4O2/c24-22-21-20(13-27(23(21)26-14-25-22)16-8-9-17(28)12-16)15-6-10-19(11-7-15)29-18-4-2-1-3-5-18/h1-7,10-11,13-14,16-17,28H,8-9,12H2,(H2,24,25,26)
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n/an/a 88n/an/an/an/an/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Inhibition of src at 5 mM ATP

Bioorg Med Chem Lett 10: 2167-70 (2001)


BindingDB Entry DOI: 10.7270/Q2J38RTH
More data for this
Ligand-Target Pair