Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50030797 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)) | BDBM50301603
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34)/t20-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301619
((S)-3-((S)-1-(4-(5-(2-aminopyrimidin-4-yl)-1H-benz...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccnc(N)n1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C33H33N11O/c1-21(29-19-43(17-16-42(29)2)33(45)40-26-9-5-7-22-6-3-4-8-24(22)26)38-32-36-15-13-30(41-32)44-20-37-27-18-23(10-11-28(27)44)25-12-14-35-31(34)39-25/h3-15,18,20-21,29H,16-17,19H2,1-2H3,(H,40,45)(H2,34,35,39)(H,36,38,41)/t21-,29-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301604
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES CCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C30H32N8O/c1-3-36-17-18-37(30(39)34-24-13-8-10-22-9-4-5-11-23(22)24)19-27(36)21(2)33-29-31-16-15-28(35-29)38-20-32-25-12-6-7-14-26(25)38/h4-16,20-21,27H,3,17-19H2,1-2H3,(H,34,39)(H,31,33,35)/t21-,27-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301624
((S)-4-methyl-N(S)-4-methyl-N-(naphthalen-1-yl)-3-(...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccncc1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C34H33N9O/c1-23(31-21-42(19-18-41(31)2)34(44)39-28-9-5-7-25-6-3-4-8-27(25)28)38-33-36-17-14-32(40-33)43-22-37-29-20-26(10-11-30(29)43)24-12-15-35-16-13-24/h3-17,20,22-23,31H,18-19,21H2,1-2H3,(H,39,44)(H,36,38,40)/t23-,31-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301605
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES CC(C)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C32H36N8O/c1-22(2)19-38-17-18-39(32(41)36-26-13-8-10-24-9-4-5-11-25(24)26)20-29(38)23(3)35-31-33-16-15-30(37-31)40-21-34-27-12-6-7-14-28(27)40/h4-16,21-23,29H,17-20H2,1-3H3,(H,36,41)(H,33,35,37)/t23-,29-/m0/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301607
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1c1ccncc1)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C33H31N9O/c1-23(37-32-35-18-15-31(39-32)42-22-36-28-10-4-5-12-29(28)42)30-21-40(19-20-41(30)25-13-16-34-17-14-25)33(43)38-27-11-6-8-24-7-2-3-9-26(24)27/h2-18,22-23,30H,19-21H2,1H3,(H,38,43)(H,35,37,39)/t23-,30-/m0/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301594
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34) | PDB
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| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301594
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-15-14-27(34-28)37-19-31-24-11-5-6-13-25(24)37)26-18-36(17-16-35(26)2)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301618
((S)-3-((S)-1-(4-(5-(3-ethyl-2-oxoimidazolidin-1-yl...)Show SMILES CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)[C@@H]2CN(CCN2C)C(=O)Nc2cccc3ccccc23)n1 |r| Show InChI InChI=1S/C34H38N10O2/c1-4-41-18-19-43(34(41)46)25-12-13-29-28(20-25)36-22-44(29)31-14-15-35-32(39-31)37-23(2)30-21-42(17-16-40(30)3)33(45)38-27-11-7-9-24-8-5-6-10-26(24)27/h5-15,20,22-23,30H,4,16-19,21H2,1-3H3,(H,38,45)(H,35,37,39)/t23-,30-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301588
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@H]1CCCN(C1)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C29H29N7O/c1-20(32-28-30-16-15-27(34-28)36-19-31-25-12-4-5-14-26(25)36)22-10-7-17-35(18-22)29(37)33-24-13-6-9-21-8-2-3-11-23(21)24/h2-6,8-9,11-16,19-20,22H,7,10,17-18H2,1H3,(H,33,37)(H,30,32,34)/t20-,22-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301608
(CHEMBL566507 | ethyl 2-((S)-2-((S)-1-(4-(1H-benzo[...)Show SMILES CCOC(=O)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C32H34N8O3/c1-3-43-30(41)20-38-17-18-39(32(42)36-25-13-8-10-23-9-4-5-11-24(23)25)19-28(38)22(2)35-31-33-16-15-29(37-31)40-21-34-26-12-6-7-14-27(26)40/h4-16,21-22,28H,3,17-20H2,1-2H3,(H,36,42)(H,33,35,37)/t22-,28-/m0/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301587
(CHEMBL567885 | rac 3-(1-(4-(1H-benzo[d]imidazol-1-...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C29H29N7O/c1-20(32-28-30-16-15-27(34-28)36-19-31-25-12-4-5-14-26(25)36)22-10-7-17-35(18-22)29(37)33-24-13-6-9-21-8-2-3-11-23(21)24/h2-6,8-9,11-16,19-20,22H,7,10,17-18H2,1H3,(H,33,37)(H,30,32,34) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301621
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@]1(C)CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C30H32N8O/c1-21(33-28-31-16-15-27(35-28)38-20-32-25-12-6-7-14-26(25)38)30(2)19-37(18-17-36(30)3)29(39)34-24-13-8-10-22-9-4-5-11-23(22)24/h4-16,20-21H,17-19H2,1-3H3,(H,34,39)(H,31,33,35)/t21-,30-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301617
((S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-...)Show SMILES CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)c2ccccc2)n1 |r| Show InChI InChI=1S/C24H25N7O/c1-3-29-13-14-30(24(29)32)19-9-10-21-20(15-19)26-16-31(21)22-11-12-25-23(28-22)27-17(2)18-7-5-4-6-8-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,25,27,28)/t17-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301616
((S)-4-(5-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidaz...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1 |r| Show InChI InChI=1S/C23H20N8/c1-15(16-5-3-2-4-6-16)28-23-26-12-10-21(30-23)31-14-27-19-13-17(7-8-20(19)31)18-9-11-25-22(24)29-18/h2-15H,1H3,(H2,24,25,29)(H,26,28,30)/t15-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301606
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES CCCCCCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C34H40N8O/c1-3-4-5-10-20-40-21-22-41(34(43)38-28-16-11-13-26-12-6-7-14-27(26)28)23-31(40)25(2)37-33-35-19-18-32(39-33)42-24-36-29-15-8-9-17-30(29)42/h6-9,11-19,24-25,31H,3-5,10,20-23H2,1-2H3,(H,38,43)(H,35,37,39)/t25-,31-/m0/s1 | PDB
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301595
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1Cc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C35H34N8O/c1-25(38-34-36-19-18-33(40-34)43-24-37-30-15-7-8-17-31(30)43)32-23-42(21-20-41(32)22-26-10-3-2-4-11-26)35(44)39-29-16-9-13-27-12-5-6-14-28(27)29/h2-19,24-25,32H,20-23H2,1H3,(H,39,44)(H,36,38,40) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301623
((S)-N-(1-phenylethyl)-4-(5-(pyridin-4-yl)-1H-benzo...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H20N6/c1-17(18-5-3-2-4-6-18)28-24-26-14-11-23(29-24)30-16-27-21-15-20(7-8-22(21)30)19-9-12-25-13-10-19/h2-17H,1H3,(H,26,28,29)/t17-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301593
((3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylami...)Show SMILES CN1CCN(CC1CNc1nccc(n1)-n1cnc2ccccc12)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H27N7O/c1-33-14-15-34(27(36)22-11-10-20-6-2-3-7-21(20)16-22)18-23(33)17-30-28-29-13-12-26(32-28)35-19-31-24-8-4-5-9-25(24)35/h2-13,16,19,23H,14-15,17-18H2,1H3,(H,29,30,32) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301583
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C25H27N7O/c1-18(19-8-7-15-31(16-19)25(33)29-20-9-3-2-4-10-20)28-24-26-14-13-23(30-24)32-17-27-21-11-5-6-12-22(21)32/h2-6,9-14,17-19H,7-8,15-16H2,1H3,(H,29,33)(H,26,28,30) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301596
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1S(C)(=O)=O)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C29H30N8O3S/c1-20(32-28-30-15-14-27(34-28)36-19-31-24-11-5-6-13-25(24)36)26-18-35(16-17-37(26)41(2,39)40)29(38)33-23-12-7-9-21-8-3-4-10-22(21)23/h3-15,19-20,26H,16-18H2,1-2H3,(H,33,38)(H,30,32,34) | PDB
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| n/a | n/a | 11.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301615
((S)-1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-be...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccc(N)cc12)c1ccccc1 |r| Show InChI InChI=1S/C19H18N6/c1-13(14-5-3-2-4-6-14)23-19-21-10-9-18(24-19)25-12-22-16-8-7-15(20)11-17(16)25/h2-13H,20H2,1H3,(H,21,23,24)/t13-/m0/s1 | PDB
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| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301599
(4-(1H-benzo[d]imidazol-1-yl)-N-(1-(1-methyl-4-(met...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)S(C)(=O)=O Show InChI InChI=1S/C19H25N7O2S/c1-14(17-12-25(29(3,27)28)11-10-24(17)2)22-19-20-9-8-18(23-19)26-13-21-15-6-4-5-7-16(15)26/h4-9,13-14,17H,10-12H2,1-3H3,(H,20,22,23) | PDB
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| n/a | n/a | 22.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301597
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C34H32N8O3S/c1-24(37-33-35-19-18-32(39-33)41-23-36-29-15-7-8-17-30(29)41)31-22-40(20-21-42(31)46(44,45)26-12-3-2-4-13-26)34(43)38-28-16-9-11-25-10-5-6-14-27(25)28/h2-19,23-24,31H,20-22H2,1H3,(H,38,43)(H,35,37,39) | PDB
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| n/a | n/a | 26.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301586
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C29H29N7O/c1-20(32-28-30-15-14-27(34-28)36-19-31-25-10-4-5-11-26(25)36)23-9-6-16-35(18-23)29(37)33-24-13-12-21-7-2-3-8-22(21)17-24/h2-5,7-8,10-15,17,19-20,23H,6,9,16,18H2,1H3,(H,33,37)(H,30,32,34) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301585
(CHEMBL567880 | phenyl 3-(1-(4-(1H-benzo[d]imidazol...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C25H26N6O2/c1-18(19-8-7-15-30(16-19)25(32)33-20-9-3-2-4-10-20)28-24-26-14-13-23(29-24)31-17-27-21-11-5-6-12-22(21)31/h2-6,9-14,17-19H,7-8,15-16H2,1H3,(H,26,28,29) | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301575
((S)-4-(1H-benzo[d]imidazol-1-yl)-N-(1-(3-nitrophen...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C19H16N6O2/c1-13(14-5-4-6-15(11-14)25(26)27)22-19-20-10-9-18(23-19)24-12-21-16-7-2-3-8-17(16)24/h2-13H,1H3,(H,20,22,23)/t13-/m0/s1 | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301612
((S)-4-(6-methyl-1H-benzo[d]imidazol-1-yl)-N-(1-phe...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccc(C)cc12)c1ccccc1 |r| Show InChI InChI=1S/C20H19N5/c1-14-8-9-17-18(12-14)25(13-22-17)19-10-11-21-20(24-19)23-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,21,23,24)/t15-/m0/s1 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301598
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C29H30N8O/c1-20(32-28-30-14-13-27(34-28)37-19-31-24-9-5-6-10-25(24)37)26-18-36(16-15-35(26)2)29(38)33-23-12-11-21-7-3-4-8-22(21)17-23/h3-14,17,19-20,26H,15-16,18H2,1-2H3,(H,33,38)(H,30,32,34) | PDB
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| n/a | n/a | 75.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301614
((S)-1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-be...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(N)ccc12)c1ccccc1 |r| Show InChI InChI=1S/C19H18N6/c1-13(14-5-3-2-4-6-14)23-19-21-10-9-18(24-19)25-12-22-16-11-15(20)7-8-17(16)25/h2-13H,20H2,1H3,(H,21,23,24)/t13-/m0/s1 | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301590
((3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylami...)Show SMILES O=C(N1CCCC(CNc2nccc(n2)-n2cnc3ccccc23)C1)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N6O/c35-27(23-12-11-21-7-1-2-8-22(21)16-23)33-15-5-6-20(18-33)17-30-28-29-14-13-26(32-28)34-19-31-24-9-3-4-10-25(24)34/h1-4,7-14,16,19-20H,5-6,15,17-18H2,(H,29,30,32) | PDB
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| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301592
((3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylami...)Show SMILES O=C(N1CCNC(CNc2nccc(n2)-n2cnc3ccccc23)C1)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H25N7O/c35-26(21-10-9-19-5-1-2-6-20(19)15-21)33-14-13-28-22(17-33)16-30-27-29-12-11-25(32-27)34-18-31-23-7-3-4-8-24(23)34/h1-12,15,18,22,28H,13-14,16-17H2,(H,29,30,32) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301609
((S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidi...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1C(C)=O)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C30H30N8O2/c1-20(33-29-31-15-14-28(35-29)38-19-32-25-11-5-6-13-26(25)38)27-18-36(16-17-37(27)21(2)39)30(40)34-24-12-7-9-22-8-3-4-10-23(22)24/h3-15,19-20,27H,16-18H2,1-2H3,(H,34,40)(H,31,33,35)/t20-,27-/m0/s1 | PDB
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| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301611
((S)-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-N-(1-phe...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(C)ccc12)c1ccccc1 |r| Show InChI InChI=1S/C20H19N5/c1-14-8-9-18-17(12-14)22-13-25(18)19-10-11-21-20(24-19)23-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,21,23,24)/t15-/m0/s1 | PDB
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| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301580
(CHEMBL565509 | benzyl 3-(1-(4-(1H-benzo[d]imidazol...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H28N6O2/c1-19(21-10-7-15-31(16-21)26(33)34-17-20-8-3-2-4-9-20)29-25-27-14-13-24(30-25)32-18-28-22-11-5-6-12-23(22)32/h2-6,8-9,11-14,18-19,21H,7,10,15-17H2,1H3,(H,27,29,30) | PDB
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| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301580
(CHEMBL565509 | benzyl 3-(1-(4-(1H-benzo[d]imidazol...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H28N6O2/c1-19(21-10-7-15-31(16-21)26(33)34-17-20-8-3-2-4-9-20)29-25-27-14-13-24(30-25)32-18-28-22-11-5-6-12-23(22)32/h2-6,8-9,11-14,18-19,21H,7,10,15-17H2,1H3,(H,27,29,30) | PDB
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PC sid
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| Article
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| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301622
((S)-4-(1H-benzo[d]imidazol-1-yl)-N-(1-phenylethyl)...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)22-19-20-12-11-18(23-19)24-13-21-16-9-5-6-10-17(16)24/h2-14H,1H3,(H,20,22,23)/t14-/m0/s1 | PDB
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| n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301591
((2-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylami...)Show SMILES O=C(N1CCOC(CNc2nccc(n2)-n2cnc3ccccc23)C1)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H24N6O2/c34-26(21-10-9-19-5-1-2-6-20(19)15-21)32-13-14-35-22(17-32)16-29-27-28-12-11-25(31-27)33-18-30-23-7-3-4-8-24(23)33/h1-12,15,18,22H,13-14,16-17H2,(H,28,29,31) | PDB
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| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301581
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CNC(=O)N1CCCC(C1)C(C)Nc1nccc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C20H25N7O/c1-14(15-6-5-11-26(12-15)20(28)21-2)24-19-22-10-9-18(25-19)27-13-23-16-7-3-4-8-17(16)27/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3,(H,21,28)(H,22,24,25) | PDB
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| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301576
((S)-4-(1H-benzo[d]imidazol-1-yl)-N-(1-cyclohexylet...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)C1CCCCC1 |r| Show InChI InChI=1S/C19H23N5/c1-14(15-7-3-2-4-8-15)22-19-20-12-11-18(23-19)24-13-21-16-9-5-6-10-17(16)24/h5-6,9-15H,2-4,7-8H2,1H3,(H,20,22,23)/t14-/m0/s1 | PDB
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| n/a | n/a | 243 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301600
(4-(1H-benzo[d]imidazol-1-yl)-N-(1-(4-benzyl-1-meth...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(Cc2ccccc2)CCN1C Show InChI InChI=1S/C25H29N7/c1-19(23-17-31(15-14-30(23)2)16-20-8-4-3-5-9-20)28-25-26-13-12-24(29-25)32-18-27-21-10-6-7-11-22(21)32/h3-13,18-19,23H,14-17H2,1-2H3,(H,26,28,29) | PDB
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| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301578
(CHEMBL572354 | benzyl 3-((4-(1H-benzo[d]imidazol-1...)Show SMILES O=C(OCc1ccccc1)N1CCCC(CNc2nccc(n2)-n2cnc3ccccc23)C1 Show InChI InChI=1S/C25H26N6O2/c32-25(33-17-19-7-2-1-3-8-19)30-14-6-9-20(16-30)15-27-24-26-13-12-23(29-24)31-18-28-21-10-4-5-11-22(21)31/h1-5,7-8,10-13,18,20H,6,9,14-17H2,(H,26,27,29) | PDB
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301584
(1-(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-y...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-19(21-10-7-15-31(17-21)25(33)16-20-8-3-2-4-9-20)29-26-27-14-13-24(30-26)32-18-28-22-11-5-6-12-23(22)32/h2-6,8-9,11-14,18-19,21H,7,10,15-17H2,1H3,(H,27,29,30) | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301626
(4-(1H-benzo[d]imidazol-1-yl)-N-benzylpyrimidin-2-a...)Show InChI InChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-20-18-19-11-10-17(22-18)23-13-21-15-8-4-5-9-16(15)23/h1-11,13H,12H2,(H,19,20,22) | PDB
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| n/a | n/a | 827 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301620
(CHEMBL572095 | benzyl 2-(1-(4-(1H-benzo[d]imidazol...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C36H34N8O3/c1-25(39-34-37-19-18-33(41-34)44-24-38-30-15-7-8-17-31(30)44)32-22-42(20-21-43(32)36(46)47-23-26-10-3-2-4-11-26)35(45)40-29-16-9-13-27-12-5-6-14-28(27)29/h2-19,24-25,32H,20-23H2,1H3,(H,40,45)(H,37,39,41) | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301602
(4-(1H-benzo[d]imidazol-1-yl)-N-(1-(1-methylpiperaz...)Show InChI InChI=1S/C18H23N7/c1-13(16-11-19-9-10-24(16)2)22-18-20-8-7-17(23-18)25-12-21-14-5-3-4-6-15(14)25/h3-8,12-13,16,19H,9-11H2,1-2H3,(H,20,22,23) | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301601
(4-(1H-benzo[d]imidazol-1-yl)-N-(1-(1,4-dimethylpip...)Show InChI InChI=1S/C19H25N7/c1-14(17-12-24(2)10-11-25(17)3)22-19-20-9-8-18(23-19)26-13-21-15-6-4-5-7-16(15)26/h4-9,13-14,17H,10-12H2,1-3H3,(H,20,22,23) | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301582
(3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylam...)Show SMILES CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H33N7O/c1-18(19-8-7-15-31(16-19)25(33)29-20-9-3-2-4-10-20)28-24-26-14-13-23(30-24)32-17-27-21-11-5-6-12-22(21)32/h5-6,11-14,17-20H,2-4,7-10,15-16H2,1H3,(H,29,33)(H,26,28,30) | PDB
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| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301625
((R)-4-(1H-benzo[d]imidazol-1-yl)-N-(1-phenylethyl)...)Show SMILES C[C@@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)22-19-20-12-11-18(23-19)24-13-21-16-9-5-6-10-17(16)24/h2-14H,1H3,(H,20,22,23)/t14-/m1/s1 | PDB
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| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50301613
((S)-4-(5,6-dimethyl-1H-benzo[d]imidazol-1-yl)-N-(1...)Show SMILES C[C@H](Nc1nccc(n1)-n1cnc2cc(C)c(C)cc12)c1ccccc1 |r| Show InChI InChI=1S/C21H21N5/c1-14-11-18-19(12-15(14)2)26(13-23-18)20-9-10-22-21(25-20)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,22,24,25)/t16-/m0/s1 | PDB
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| n/a | n/a | 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 19: 5440-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.102
BindingDB Entry DOI: 10.7270/Q2GX4BM0 |
More data for this
Ligand-Target Pair | |
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