Found 63 hits with Last Name = 'skinner' and Initial = 'bs' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8798
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-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,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-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/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8807
(CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.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,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-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/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23- | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8798
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-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,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-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/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24- | PDB
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| n/a | n/a | 12.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8806
((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.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,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-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/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1 | PDB
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| PC cid
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8806
((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.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,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-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/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1 | PDB
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| PC cid
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8803
(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- | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8805
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.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,;.72,9.1,;2.25,10.43,;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/C34H44N8O2/c1-34(2,24-8-6-5-7-9-24)21-29(43)38-27-15-10-23(20-28(27)44-4)31-30-32(35)36-22-37-33(30)42(39-31)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26- | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8794
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H33N7O/c1-33-15-17-34(18-16-33)21-9-11-22(12-10-21)35-28-25(27(29)30-19-31-28)26(32-35)20-7-13-24(14-8-20)36-23-5-3-2-4-6-23/h2-8,13-14,19,21-22H,9-12,15-18H2,1H3,(H2,29,30,31)/t21-,22- | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8795
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(phe...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H34N8/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-28-25(27(29)30-19-31-28)26(33-36)20-7-9-22(10-8-20)32-21-5-3-2-4-6-21/h2-10,19,23-24,32H,11-18H2,1H3,(H2,29,30,31)/t23-,24- | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8794
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H33N7O/c1-33-15-17-34(18-16-33)21-9-11-22(12-10-21)35-28-25(27(29)30-19-31-28)26(32-35)20-7-13-24(14-8-20)36-23-5-3-2-4-6-23/h2-8,13-14,19,21-22H,9-12,15-18H2,1H3,(H2,29,30,31)/t21-,22- | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8807
(CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.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,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-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/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23- | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8808
(3-{4-[(1H-indol-2-ylmethyl)amino]phenyl}-1-[4-(4-m...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C31H37N9/c1-38-14-16-39(17-15-38)25-10-12-26(13-11-25)40-31-28(30(32)34-20-35-31)29(37-40)21-6-8-23(9-7-21)33-19-24-18-22-4-2-3-5-27(22)36-24/h2-9,18,20,25-26,33,36H,10-17,19H2,1H3,(H2,32,34,35)/t25-,26- | PDB
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| PC cid
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8802
(3-[4-(benzylamino)-3-methoxyphenyl]-1-[4-(4-methyl...)Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.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,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-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/C30H38N8O/c1-36-14-16-37(17-15-36)23-9-11-24(12-10-23)38-30-27(29(31)33-20-34-30)28(35-38)22-8-13-25(26(18-22)39-2)32-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24,32H,9-12,14-17,19H2,1-2H3,(H2,31,33,34)/t23-,24- | PDB
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| PC cid
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8795
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(phe...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H34N8/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-28-25(27(29)30-19-31-28)26(33-36)20-7-9-22(10-8-20)32-21-5-3-2-4-6-21/h2-10,19,23-24,32H,11-18H2,1H3,(H2,29,30,31)/t23-,24- | PDB
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| PC cid
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8802
(3-[4-(benzylamino)-3-methoxyphenyl]-1-[4-(4-methyl...)Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.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,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-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/C30H38N8O/c1-36-14-16-37(17-15-36)23-9-11-24(12-10-23)38-30-27(29(31)33-20-34-30)28(35-38)22-8-13-25(26(18-22)39-2)32-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24,32H,9-12,14-17,19H2,1-2H3,(H2,31,33,34)/t23-,24- | PDB
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| PC cid
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8804
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.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,;-1.88,11.31,;-.38,11.74,;.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/C34H44N8O2/c1-34(2,21-23-8-6-5-7-9-23)33(43)38-27-15-10-24(20-28(27)44-4)30-29-31(35)36-22-37-32(29)42(39-30)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26- | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8797
(CHEMBL297363 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)Show SMILES COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.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,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-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/C30H36N8O2/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(31)32-19-33-29)27(35-38)21-8-13-24(25(18-21)40-2)34-30(39)20-6-4-3-5-7-20/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H,34,39)(H2,31,32,33)/t22-,23- | PDB
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8796
(3-(4-benzoylphenyl)-1-[4-(4-methylpiperazin-1-yl)c...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-1.75,5.73,;-2.08,4.23,;-2.56,8.27,;-3.7,9.31,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H33N7O/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-29-25(28(30)31-19-32-29)26(33-36)20-7-9-22(10-8-20)27(37)21-5-3-2-4-6-21/h2-10,19,23-24H,11-18H2,1H3,(H2,30,31,32)/t23-,24- | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8805
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.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,;.72,9.1,;2.25,10.43,;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/C34H44N8O2/c1-34(2,24-8-6-5-7-9-24)21-29(43)38-27-15-10-23(20-28(27)44-4)31-30-32(35)36-22-37-33(30)42(39-31)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26- | PDB
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| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8800
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.44,8.74,;-1.1,7.2,;-.77,10.25,;-1.89,11.3,;-1.53,12.8,;-.06,13.24,;1.06,12.19,;.71,10.69,;-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/C29H36N8O3S/c1-35-14-16-36(17-15-35)21-9-11-22(12-10-21)37-29-26(28(30)31-19-32-29)27(33-37)20-8-13-24(25(18-20)40-2)34-41(38,39)23-6-4-3-5-7-23/h3-8,13,18-19,21-22,34H,9-12,14-17H2,1-2H3,(H2,30,31,32)/t21-,22- | PDB
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| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8803
(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- | PDB
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8801
(Pyrazolo[3,4-d]pyrimidine 9 | [(4-{4-amino-1-[4-(4...)Show SMILES COc1cc(ccc1NS(=O)(=O)Nc1ccccc1)-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,;.44,8.74,;-1.1,7.2,;-.77,10.25,;.7,10.71,;1.21,12.17,;2.72,12.45,;3.73,11.28,;3.22,9.83,;1.7,9.54,;-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/C29H37N9O3S/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(30)31-19-32-29)27(33-38)20-8-13-24(25(18-20)41-2)35-42(39,40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23,34-35H,9-12,14-17H2,1-2H3,(H2,30,31,32)/t22-,23- | PDB
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| PC cid
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| n/a | n/a | 167 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8797
(CHEMBL297363 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)Show SMILES COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.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,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-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/C30H36N8O2/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(31)32-19-33-29)27(35-38)21-8-13-24(25(18-21)40-2)34-30(39)20-6-4-3-5-7-20/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H,34,39)(H2,31,32,33)/t22-,23- | PDB
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| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8808
(3-{4-[(1H-indol-2-ylmethyl)amino]phenyl}-1-[4-(4-m...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C31H37N9/c1-38-14-16-39(17-15-38)25-10-12-26(13-11-25)40-31-28(30(32)34-20-35-31)29(37-40)21-6-8-23(9-7-21)33-19-24-18-22-4-2-3-5-27(22)36-24/h2-9,18,20,25-26,33,36H,10-17,19H2,1H3,(H2,32,34,35)/t25-,26- | PDB
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| PC cid
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| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8799
(3-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-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/C30H37N9O2/c1-37-14-16-38(17-15-37)22-9-11-23(12-10-22)39-29-26(28(31)32-19-33-29)27(36-39)20-8-13-24(25(18-20)41-2)35-30(40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H2,31,32,33)(H2,34,35,40)/t22-,23- | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
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CHEMBL
MCE
PC cid
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PDB
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| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM8799
(3-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-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/C30H37N9O2/c1-37-14-16-38(17-15-37)22-9-11-23(12-10-22)39-29-26(28(31)32-19-33-29)27(36-39)20-8-13-24(25(18-20)41-2)35-30(40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H2,31,32,33)(H2,34,35,40)/t22-,23- | PDB
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NCI pathway
Reactome pathway
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PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8806
((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...)Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.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,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-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/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1 | PDB
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| PC cid
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PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8799
(3-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-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/C30H37N9O2/c1-37-14-16-38(17-15-37)22-9-11-23(12-10-22)39-29-26(28(31)32-19-33-29)27(36-39)20-8-13-24(25(18-20)41-2)35-30(40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H2,31,32,33)(H2,34,35,40)/t22-,23- | PDB
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| PC cid
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8796
(3-(4-benzoylphenyl)-1-[4-(4-methylpiperazin-1-yl)c...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-1.75,5.73,;-2.08,4.23,;-2.56,8.27,;-3.7,9.31,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H33N7O/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-29-25(28(30)31-19-32-29)26(33-36)20-7-9-22(10-8-20)27(37)21-5-3-2-4-6-21/h2-10,19,23-24H,11-18H2,1H3,(H2,30,31,32)/t23-,24- | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| PC cid
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Similars
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PubMed
| n/a | n/a | 427 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM8808
(3-{4-[(1H-indol-2-ylmethyl)amino]phenyl}-1-[4-(4-m...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C31H37N9/c1-38-14-16-39(17-15-38)25-10-12-26(13-11-25)40-31-28(30(32)34-20-35-31)29(37-40)21-6-8-23(9-7-21)33-19-24-18-22-4-2-3-5-27(22)36-24/h2-9,18,20,25-26,33,36H,10-17,19H2,1H3,(H2,32,34,35)/t25-,26- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 435 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8804
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.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,;-1.88,11.31,;-.38,11.74,;.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/C34H44N8O2/c1-34(2,21-23-8-6-5-7-9-23)33(43)38-27-15-10-24(20-28(27)44-4)30-29-31(35)36-22-37-32(29)42(39-30)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26- | PDB
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KEGG
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| PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8801
(Pyrazolo[3,4-d]pyrimidine 9 | [(4-{4-amino-1-[4-(4...)Show SMILES COc1cc(ccc1NS(=O)(=O)Nc1ccccc1)-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,;.44,8.74,;-1.1,7.2,;-.77,10.25,;.7,10.71,;1.21,12.17,;2.72,12.45,;3.73,11.28,;3.22,9.83,;1.7,9.54,;-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/C29H37N9O3S/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(30)31-19-32-29)27(33-38)20-8-13-24(25(18-20)41-2)35-42(39,40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23,34-35H,9-12,14-17H2,1-2H3,(H2,30,31,32)/t22-,23- | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | 463 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8798
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-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,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-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/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24- | PDB
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8808
(3-{4-[(1H-indol-2-ylmethyl)amino]phenyl}-1-[4-(4-m...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C31H37N9/c1-38-14-16-39(17-15-38)25-10-12-26(13-11-25)40-31-28(30(32)34-20-35-31)29(37-40)21-6-8-23(9-7-21)33-19-24-18-22-4-2-3-5-27(22)36-24/h2-9,18,20,25-26,33,36H,10-17,19H2,1H3,(H2,32,34,35)/t25-,26- | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | 526 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8795
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(phe...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H34N8/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-28-25(27(29)30-19-31-28)26(33-36)20-7-9-22(10-8-20)32-21-5-3-2-4-6-21/h2-10,19,23-24,32H,11-18H2,1H3,(H2,29,30,31)/t23-,24- | PDB
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| PC cid
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PubMed
| n/a | n/a | 606 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8794
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H33N7O/c1-33-15-17-34(18-16-33)21-9-11-22(12-10-21)35-28-25(27(29)30-19-31-28)26(32-35)20-7-13-24(14-8-20)36-23-5-3-2-4-6-23/h2-8,13-14,19,21-22H,9-12,15-18H2,1H3,(H2,29,30,31)/t21-,22- | PDB
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| MCE
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8801
(Pyrazolo[3,4-d]pyrimidine 9 | [(4-{4-amino-1-[4-(4...)Show SMILES COc1cc(ccc1NS(=O)(=O)Nc1ccccc1)-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,;.44,8.74,;-1.1,7.2,;-.77,10.25,;.7,10.71,;1.21,12.17,;2.72,12.45,;3.73,11.28,;3.22,9.83,;1.7,9.54,;-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/C29H37N9O3S/c1-36-14-16-37(17-15-36)22-9-11-23(12-10-22)38-29-26(28(30)31-19-32-29)27(33-38)20-8-13-24(25(18-20)41-2)35-42(39,40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23,34-35H,9-12,14-17H2,1-2H3,(H2,30,31,32)/t22-,23- | PDB
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| PC cid
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| n/a | n/a | 888 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8805
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.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,;.72,9.1,;2.25,10.43,;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/C34H44N8O2/c1-34(2,24-8-6-5-7-9-24)21-29(43)38-27-15-10-23(20-28(27)44-4)31-30-32(35)36-22-37-33(30)42(39-31)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26- | PDB
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| PC cid
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PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8799
(3-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-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/C30H37N9O2/c1-37-14-16-38(17-15-37)22-9-11-23(12-10-22)39-29-26(28(31)32-19-33-29)27(36-39)20-8-13-24(25(18-20)41-2)35-30(40)34-21-6-4-3-5-7-21/h3-8,13,18-19,22-23H,9-12,14-17H2,1-2H3,(H2,31,32,33)(H2,34,35,40)/t22-,23- | PDB
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| PC cid
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| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8807
(CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.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,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-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/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23- | PDB
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PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8802
(3-[4-(benzylamino)-3-methoxyphenyl]-1-[4-(4-methyl...)Show SMILES COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.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,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-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/C30H38N8O/c1-36-14-16-37(17-15-36)23-9-11-24(12-10-23)38-30-27(29(31)33-20-34-30)28(35-38)22-8-13-25(26(18-22)39-2)32-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24,32H,9-12,14-17,19H2,1-2H3,(H2,31,33,34)/t23-,24- | PDB
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| PC cid
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| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
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| Article
PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8804
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.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,;-1.88,11.31,;-.38,11.74,;.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/C34H44N8O2/c1-34(2,21-23-8-6-5-7-9-23)33(43)38-27-15-10-24(20-28(27)44-4)30-29-31(35)36-22-37-32(29)42(39-30)26-13-11-25(12-14-26)41-18-16-40(3)17-19-41/h5-10,15,20,22,25-26H,11-14,16-19,21H2,1-4H3,(H,38,43)(H2,35,36,37)/t25-,26- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM8803
(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- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM8800
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.44,8.74,;-1.1,7.2,;-.77,10.25,;-1.89,11.3,;-1.53,12.8,;-.06,13.24,;1.06,12.19,;.71,10.69,;-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/C29H36N8O3S/c1-35-14-16-36(17-15-35)21-9-11-22(12-10-21)37-29-26(28(30)31-19-32-29)27(33-37)20-8-13-24(25(18-20)40-2)34-41(38,39)23-6-4-3-5-7-23/h3-8,13,18-19,21-22,34H,9-12,14-17H2,1-2H3,(H2,30,31,32)/t21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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)) | BDBM8795
(1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(phe...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C28H34N8/c1-34-15-17-35(18-16-34)23-11-13-24(14-12-23)36-28-25(27(29)30-19-31-28)26(33-36)20-7-9-22(10-8-20)32-21-5-3-2-4-6-21/h2-10,19,23-24,32H,11-18H2,1H3,(H2,29,30,31)/t23-,24- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.81E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM8800
(N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohe...)Show SMILES COc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.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,;.44,8.74,;-1.1,7.2,;-.77,10.25,;-1.89,11.3,;-1.53,12.8,;-.06,13.24,;1.06,12.19,;.71,10.69,;-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/C29H36N8O3S/c1-35-14-16-36(17-15-35)21-9-11-22(12-10-21)37-29-26(28(30)31-19-32-29)27(33-37)20-8-13-24(25(18-20)40-2)34-41(38,39)23-6-4-3-5-7-23/h3-8,13,18-19,21-22,34H,9-12,14-17H2,1-2H3,(H2,30,31,32)/t21-,22- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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