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BDBM8803 CHEMBL295601::N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-3-phenylpropanamide::Pyrazolo[3,4-d]pyrimidine 11

SMILES: COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12

InChI Key: InChIKey=WGBGLPNMHGTLQS-SOAUALDESA-N

Data: 8 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 8 hits for monomerid = 8803   
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))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 28n/an/an/an/a7.422



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...

Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 155n/an/an/an/an/an/a



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...

Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...

Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 2 activity with 1mM ATP and biotinylated lck peptide

Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 28n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide

Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 2.45E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of tyrosine protein kinase receptor TIE-2 with 1 mM ATP and biotinylated lck peptide

Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 155n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide

Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 2.45E+3n/an/an/an/an/an/a



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...

Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair