Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50016917 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)) | BDBM50175210
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175200
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175200
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175209
(CHEMBL198136 | N-(4-(4-amino-1-(1-methylpiperidin-...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175199
(CHEMBL371459 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C32H34F4N8O3/c1-18(45)42-11-7-21(8-12-42)43-13-9-22(10-14-43)44-30-27(29(37)38-17-39-30)28(41-44)19-3-6-25(26(15-19)47-2)40-31(46)23-5-4-20(16-24(23)33)32(34,35)36/h3-6,15-17,21-22H,7-14H2,1-2H3,(H,40,46)(H2,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175197
(CHEMBL199369 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1)N(C)C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H38N8O3/c1-37(2)22-7-4-20(5-8-22)31(40)35-25-9-6-21(18-26(25)41-3)28-27-29(32)33-19-34-30(27)39(36-28)24-10-14-38(15-11-24)23-12-16-42-17-13-23/h4-9,18-19,23-24H,10-17H2,1-3H3,(H,35,40)(H2,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175198
(CHEMBL198239 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H31F4N7O3/c1-43-24-14-17(2-5-23(24)38-29(42)21-4-3-18(15-22(21)31)30(32,33)34)26-25-27(35)36-16-37-28(25)41(39-26)20-6-10-40(11-7-20)19-8-12-44-13-9-19/h2-5,14-16,19-20H,6-13H2,1H3,(H,38,42)(H2,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175205
(CHEMBL200587 | N-(4-(4-amino-1-(piperidin-4-yl)-1H...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H23F4N7O2/c1-38-19-10-13(2-5-18(19)34-24(37)16-4-3-14(11-17(16)26)25(27,28)29)21-20-22(30)32-12-33-23(20)36(35-21)15-6-8-31-9-7-15/h2-5,10-12,15,31H,6-9H2,1H3,(H,34,37)(H2,30,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175201
(CHEMBL382939 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H35N9O3/c1-38-24-6-4-3-5-22(24)35-30(38)31(41)36-23-8-7-19(17-25(23)42-2)27-26-28(32)33-18-34-29(26)40(37-27)21-9-13-39(14-10-21)20-11-15-43-16-12-20/h3-8,17-18,20-21H,9-16H2,1-2H3,(H,36,41)(H2,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175210
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175195
(CHEMBL370773 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-10-24(11-15-41)42-16-12-25(13-17-42)43-33-30(32(35)36-20-37-33)31(39-43)23-8-9-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-9,18-20,24-25H,10-17H2,1-3H3,(H,38,45)(H2,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175205
(CHEMBL200587 | N-(4-(4-amino-1-(piperidin-4-yl)-1H...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C25H23F4N7O2/c1-38-19-10-13(2-5-18(19)34-24(37)16-4-3-14(11-17(16)26)25(27,28)29)21-20-22(30)32-12-33-23(20)36(35-21)15-6-8-31-9-7-15/h2-5,10-12,15,31H,6-9H2,1H3,(H,34,37)(H2,30,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175199
(CHEMBL371459 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C32H34F4N8O3/c1-18(45)42-11-7-21(8-12-42)43-13-9-22(10-14-43)44-30-27(29(37)38-17-39-30)28(41-44)19-3-6-25(26(15-19)47-2)40-31(46)23-5-4-20(16-24(23)33)32(34,35)36/h3-6,15-17,21-22H,7-14H2,1-2H3,(H,40,46)(H2,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175198
(CHEMBL198239 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H31F4N7O3/c1-43-24-14-17(2-5-23(24)38-29(42)21-4-3-18(15-22(21)31)30(32,33)34)26-25-27(35)36-16-37-28(25)41(39-26)20-6-10-40(11-7-20)19-8-12-44-13-9-19/h2-5,14-16,19-20H,6-13H2,1H3,(H,38,42)(H2,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175209
(CHEMBL198136 | N-(4-(4-amino-1-(1-methylpiperidin-...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175197
(CHEMBL199369 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1)N(C)C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H38N8O3/c1-37(2)22-7-4-20(5-8-22)31(40)35-25-9-6-21(18-26(25)41-3)28-27-29(32)33-19-34-30(27)39(36-28)24-10-14-38(15-11-24)23-12-16-42-17-13-23/h4-9,18-19,23-24H,10-17H2,1-3H3,(H,35,40)(H2,32,33,34) | PDB
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| Article PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175207
(A-641359 | CHEMBL381203 | N-(4-(4-amino-1-(1-(tetr...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H36N8O3/c1-38-25-6-4-3-5-20(25)17-26(38)32(41)36-24-8-7-21(18-27(24)42-2)29-28-30(33)34-19-35-31(28)40(37-29)23-9-13-39(14-10-23)22-11-15-43-16-12-22/h3-8,17-19,22-23H,9-16H2,1-2H3,(H,36,41)(H2,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175207
(A-641359 | CHEMBL381203 | N-(4-(4-amino-1-(1-(tetr...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H36N8O3/c1-38-25-6-4-3-5-20(25)17-26(38)32(41)36-24-8-7-21(18-27(24)42-2)29-28-30(33)34-19-35-31(28)40(37-29)23-9-13-39(14-10-23)22-11-15-43-16-12-22/h3-8,17-19,22-23H,9-16H2,1-2H3,(H,36,41)(H2,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
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| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175201
(CHEMBL382939 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H35N9O3/c1-38-24-6-4-3-5-22(24)35-30(38)31(41)36-23-8-7-19(17-25(23)42-2)27-26-28(32)33-18-34-29(26)40(37-27)21-9-13-39(14-10-21)20-11-15-43-16-12-20/h3-8,17-18,20-21H,9-16H2,1-2H3,(H,36,41)(H2,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175211
(CHEMBL373054 | N-(4-(4-amino-1-(1-benzylpiperidin-...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(Cc3ccccc3)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H29F4N7O2/c1-45-26-15-20(7-10-25(26)40-31(44)23-9-8-21(16-24(23)33)32(34,35)36)28-27-29(37)38-18-39-30(27)43(41-28)22-11-13-42(14-12-22)17-19-5-3-2-4-6-19/h2-10,15-16,18,22H,11-14,17H2,1H3,(H,40,44)(H2,37,38,39) | PDB
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antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 341 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175211
(CHEMBL373054 | N-(4-(4-amino-1-(1-benzylpiperidin-...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(Cc3ccccc3)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H29F4N7O2/c1-45-26-15-20(7-10-25(26)40-31(44)23-9-8-21(16-24(23)33)32(34,35)36)28-27-29(37)38-18-39-30(27)43(41-28)22-11-13-42(14-12-22)17-19-5-3-2-4-6-19/h2-10,15-16,18,22H,11-14,17H2,1H3,(H,40,44)(H2,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50175200
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against fyn |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lyn |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against hck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175212
(CHEMBL200424 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(OC(F)(F)F)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H32F3N7O4/c1-42-24-16-19(4-7-23(24)37-29(41)18-2-5-22(6-3-18)44-30(31,32)33)26-25-27(34)35-17-36-28(25)40(38-26)21-8-12-39(13-9-21)20-10-14-43-15-11-20/h2-7,16-17,20-21H,8-15H2,1H3,(H,37,41)(H2,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175203
(CHEMBL440213 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C#N)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H35N9O3/c1-40-26-6-3-20(18-34)15-22(26)16-27(40)33(43)38-25-5-4-21(17-28(25)44-2)30-29-31(35)36-19-37-32(29)42(39-30)24-7-11-41(12-8-24)23-9-13-45-14-10-23/h3-6,15-17,19,23-24H,7-14H2,1-2H3,(H,38,43)(H2,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175202
(CHEMBL370383 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1ccc(C)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H35N7O3/c1-19-3-5-20(6-4-19)30(38)34-24-8-7-21(17-25(24)39-2)27-26-28(31)32-18-33-29(26)37(35-27)23-9-13-36(14-10-23)22-11-15-40-16-12-22/h3-8,17-18,22-23H,9-16H2,1-2H3,(H,34,38)(H2,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against src |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175208
(CHEMBL199816 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cc(O)c2ccccc2n1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H34N8O4/c1-43-27-16-19(6-7-24(27)37-32(42)25-17-26(41)22-4-2-3-5-23(22)36-25)29-28-30(33)34-18-35-31(28)40(38-29)21-8-12-39(13-9-21)20-10-14-44-15-11-20/h2-7,16-18,20-21H,8-15H2,1H3,(H,36,41)(H,37,42)(H2,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50175210
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against fyn |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fgr
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against fgr |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50175195
(CHEMBL370773 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-10-24(11-15-41)42-16-12-25(13-17-42)43-33-30(32(35)36-20-37-33)31(39-43)23-8-9-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-9,18-20,24-25H,10-17H2,1-3H3,(H,38,45)(H2,35,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against src |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50175204
(CHEMBL370670 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cccc(O)c1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C29H33N7O4/c1-39-24-16-18(5-6-23(24)33-29(38)19-3-2-4-22(37)15-19)26-25-27(30)31-17-32-28(25)36(34-26)21-7-11-35(12-8-21)20-9-13-40-14-10-20/h2-6,15-17,20-21,37H,7-14H2,1H3,(H,33,38)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against lck |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against ITK |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against ZAP70 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against JAK3 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK2 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against TYK2 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
NCI pathway Reactome pathway KEGG
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antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against COT |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
Reactome pathway KEGG
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Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against IRAK4 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
NCI pathway Reactome pathway KEGG
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Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against Syk |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
KEGG
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against PKA |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB MMDB
NCI pathway Reactome pathway KEGG
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against MK2 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against PKC |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
KEGG
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antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against p38 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
Reactome pathway KEGG
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against IKK1 |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50175203
(CHEMBL440213 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C#N)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H35N9O3/c1-40-26-6-3-20(18-34)15-22(26)16-27(40)33(43)38-25-5-4-21(17-28(25)44-2)30-29-31(35)36-19-37-32(29)42(39-30)24-7-11-41(12-8-24)23-9-13-45-14-10-23/h3-6,15-17,19,23-24H,7-14H2,1-2H3,(H,38,43)(H2,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against fyn |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50175196
(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)| Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25- | PDB
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| n/a | n/a | 4.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Inhibitory activity against fyn |
Bioorg Med Chem Lett 16: 118-22 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 |
More data for this Ligand-Target Pair | |