Found 135 hits with Last Name = 'kovacs' and Initial = 'e' 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
GoogleScholar
AffyNet 
| 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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28124
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099987
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099990
(4-(4-Benzyl-phenylamino)-6,7-dimethoxy-quinoline-3...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C25H21N3O2/c1-29-23-13-21-22(14-24(23)30-2)27-16-19(15-26)25(21)28-20-10-8-18(9-11-20)12-17-6-4-3-5-7-17/h3-11,13-14,16H,12H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099983
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099981
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM28124
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095232
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095235
(6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-4-(4-phenoxy...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCN1CCOCC1)C#N Show InChI InChI=1S/C29H28N4O4/c1-34-27-17-25-26(18-28(27)36-16-13-33-11-14-35-15-12-33)31-20-21(19-30)29(25)32-22-7-9-24(10-8-22)37-23-5-3-2-4-6-23/h2-10,17-18,20H,11-16H2,1H3,(H,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099987
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099984
(4-(4-Furan-3-ylmethyl-phenylamino)-6-methoxy-7-(3-...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccoc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O4/c1-34-27-16-25-26(17-28(27)37-11-2-8-33-9-13-35-14-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-12-36-20-22/h3-7,12,16-17,19-20H,2,8-11,13-15H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095236
(6-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-ca...)Show SMILES COc1ccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C23H17N3O2/c1-27-20-11-12-22-21(13-20)23(16(14-24)15-25-22)26-17-7-9-19(10-8-17)28-18-5-3-2-4-6-18/h2-13,15H,1H3,(H,25,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099979
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccccn4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-18-26-27(19-29(28)38-14-4-11-35-12-15-37-16-13-35)33-21-23(20-31)30(26)34-24-8-6-22(7-9-24)17-25-5-2-3-10-32-25/h2-3,5-10,18-19,21H,4,11-17H2,1H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099981
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099978
(4-(4-Furan-2-ylmethyl-phenylamino)-6-methoxy-7-(3-...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccco4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O4/c1-34-27-17-25-26(18-28(27)37-13-3-9-33-10-14-35-15-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-12-36-24/h2,4-8,12,17-18,20H,3,9-11,13-16H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099985
(4-(4-Cyclohexylsulfanyl-phenylamino)-6-methoxy-7-(...)Show SMILES COc1cc2c(Nc3ccc(SC4CCCCC4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H36N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h8-11,18-19,21,24H,2-7,12-17H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099983
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095235
(6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-4-(4-phenoxy...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCN1CCOCC1)C#N Show InChI InChI=1S/C29H28N4O4/c1-34-27-17-25-26(18-28(27)36-16-13-33-11-14-35-15-12-33)31-20-21(19-30)29(25)32-22-7-9-24(10-8-22)37-23-5-3-2-4-6-23/h2-10,17-18,20H,11-16H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099988
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-[4-(pyrid...)Show SMILES COc1cc2c(Nc3ccc(Oc4ccncc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C29H29N5O4/c1-35-27-17-25-26(18-28(27)37-14-2-11-34-12-15-36-16-13-34)32-20-21(19-30)29(25)33-22-3-5-23(6-4-22)38-24-7-9-31-10-8-24/h3-10,17-18,20H,2,11-16H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 | |
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50095229
(7-(3-Morpholin-4-yl-propoxy)-4-(4-phenoxy-phenylam...)Show SMILES N#Cc1cnc2cc(OCCCN3CCOCC3)ccc2c1Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H28N4O3/c30-20-22-21-31-28-19-26(35-16-4-13-33-14-17-34-18-15-33)11-12-27(28)29(22)32-23-7-9-25(10-8-23)36-24-5-2-1-3-6-24/h1-3,5-12,19,21H,4,13-18H2,(H,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50099976
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...)Show SMILES COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C30H31N5O3/c1-36-28-17-26-27(18-29(28)38-13-3-10-35-11-14-37-15-12-35)33-21-24(19-31)30(26)34-25-7-5-22(6-8-25)16-23-4-2-9-32-20-23/h2,4-9,17-18,20-21H,3,10-16H2,1H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an... |
Bioorg Med Chem Lett 11: 1407-10 (2001)
BindingDB Entry DOI: 10.7270/Q2RB73WF |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50095226
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description
Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA |
Bioorg Med Chem Lett 10: 2825-8 (2000)
BindingDB Entry DOI: 10.7270/Q22N51J8 |
More data for this
Ligand-Target Pair | |
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