Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 15 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)) | 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)) | 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)) | 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
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| 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)) | 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
| CHEMBL
PC cid
PC sid
UniChem
Patents
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)) | 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
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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 | |
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 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 Lck
(Homo sapiens (Human)) | BDBM50175206
(CHEMBL199813 | N2-(4-(4-amino-1-(1-(tetrahydro-2H-...)Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C(N)=O)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H37N9O4/c1-40-25-6-4-20(31(35)43)15-21(25)16-26(40)33(44)38-24-5-3-19(17-27(24)45-2)29-28-30(34)36-18-37-32(28)42(39-29)23-7-11-41(12-8-23)22-9-13-46-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H2,35,43)(H,38,44)(H2,34,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 | |
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