Found 1544 hits with Last Name = 'simpson' and Initial = 'i' 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 SYK
(Homo sapiens (Human)) | BDBM50548361
(CHEMBL4744190)Show SMILES COC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM138200
(US8871778, 141)Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1 Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548350
(CHEMBL4780257)Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546397
(CHEMBL4776352)Show SMILES CN(C)Cc1cnn(c1)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)S(C)(=O)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548354
(CHEMBL4753469)Show SMILES CNC(=O)c1ncn2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546402
(CHEMBL4762995)Show SMILES CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(cc12)-c1nnc(C)o1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548358
(CHEMBL4753141)Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(OC)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548362
(CHEMBL4784088)Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccc3n(C)nc(-c4nnc(C)o4)c3c2)n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505991
(CHEMBL4470113)Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2C(=O)N(Cc3cccc(Cl)c3)CCn2c1 Show InChI InChI=1S/C23H22ClN7O/c1-15-12-25-23(27-20-6-7-26-29(20)2)28-21(15)17-11-19-22(32)31(9-8-30(19)14-17)13-16-4-3-5-18(24)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548357
(CHEMBL4752008)Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(F)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546398
(CHEMBL4754597)Show SMILES CNC(=O)c1ccc2n(C)cc(-c3nc4c(ccnc4[nH]3)-n3cc(CN(C)C)cn3)c2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546401
(CHEMBL4776842)Show SMILES CN(C)Cc1cn(nc1C)-c1ccnc2[nH]c(nc12)-c1cn(C)c2ccc(NC(C)=O)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546400
(CHEMBL4752127)Show SMILES CNC(=O)c1cc2c(cn(C)c2cn1)-c1nc2c(ccnc2[nH]1)-n1cc(CN(C)C)cn1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548363
(CHEMBL4753164)Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccn3c(C)nc(-c4nnc(C)o4)c3c2)n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548356
(CHEMBL4792651)Show SMILES CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(cn3)[C@@H]3C[C@@H](F)CN3C)cc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265958
(CHEMBL4086507)Show SMILES COCCN1[C@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548351
(CHEMBL4786316)Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546394
(CHEMBL4759636)Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccn3cnc(-c4nnc(C)o4)c3c2)n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546407
(CHEMBL4740065)Show SMILES Cn1ccc2c(cccc12)-c1nc2c(ccnc2[nH]1)-n1cc(N[C@@H]2CCOC[C@@H]2N)cn1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548353
(CHEMBL4762290)Show SMILES CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548355
(CHEMBL4784783)Show SMILES CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(cn3)[C@@H]3C[C@H](O)CN3C)cc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50548360
(CHEMBL4790107)Show SMILES CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265973
(CHEMBL4075638)Show SMILES C[C@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505993
(CHEMBL4587118)Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2C(=O)N(Cc3ccc(F)c(F)c3)CCn2c1 Show InChI InChI=1S/C23H21F2N7O/c1-14-11-26-23(28-20-5-6-27-30(20)2)29-21(14)16-10-19-22(33)32(8-7-31(19)13-16)12-15-3-4-17(24)18(25)9-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505994
(CHEMBL4440109)Show SMILES C[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C23H22F2N8O/c1-13-9-26-23(29-19-6-7-27-31(19)3)30-20(13)18-12-32-10-14(2)33(22(34)21(32)28-18)11-15-4-5-16(24)17(25)8-15/h4-9,12,14H,10-11H2,1-3H3,(H,26,29,30)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505989
(CHEMBL4551714)Show SMILES COC[C@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C25H28N8O2/c1-16-11-26-25(29-22-8-9-27-31(22)3)30-23(16)18-10-21-24(34)33(13-19-7-5-6-17(2)28-19)20(15-35-4)14-32(21)12-18/h5-12,20H,13-15H2,1-4H3,(H,26,29,30)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265962
(CHEMBL4101072)Show SMILES Cc1cccc(CN2CCn3cc(cc3C2=O)-c2nc(Nc3ccnn3C)ncc2C)n1 Show InChI InChI=1S/C23H24N8O/c1-15-12-24-23(27-20-7-8-25-29(20)3)28-21(15)17-11-19-22(32)31(10-9-30(19)13-17)14-18-6-4-5-16(2)26-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505992
(CHEMBL4452853)Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cn2CCN(Cc3cccc(Cl)c3)C(=O)c2n1 Show InChI InChI=1S/C22H21ClN8O/c1-14-11-24-22(27-18-6-7-25-29(18)2)28-19(14)17-13-30-8-9-31(21(32)20(30)26-17)12-15-4-3-5-16(23)10-15/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,24,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505988
(CHEMBL4482864)Show SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094465
(CHEMBL3590106 | US10525036, Example BVD-523 | US10...)Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r| Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265958
(CHEMBL4086507)Show SMILES COCCN1[C@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265959
(CHEMBL4071576)Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265960
(CHEMBL4098608)Show SMILES COCCN1[C@@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265961
(CHEMBL4090886)Show InChI InChI=1S/C19H23N7O2/c1-13-11-20-19(22-16-4-5-21-24(16)2)23-17(13)14-10-15-18(27)25(8-9-28-3)6-7-26(15)12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265962
(CHEMBL4101072)Show SMILES Cc1cccc(CN2CCn3cc(cc3C2=O)-c2nc(Nc3ccnn3C)ncc2C)n1 Show InChI InChI=1S/C23H24N8O/c1-15-12-24-23(27-20-7-8-25-29(20)3)28-21(15)17-11-19-22(32)31(10-9-30(19)13-17)14-18-6-4-5-16(2)26-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265971
(CHEMBL4087393)Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265968
(CHEMBL4065992)Show SMILES COCCN1[C@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265934
(CHEMBL4060050)Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1ccnc(Nc2ccnn2C)n1 |r| Show InChI InChI=1S/C19H23N7O2/c1-12-10-15-13(18(27)26(12)8-9-28-3)11-16(22-15)14-4-6-20-19(23-14)24-17-5-7-21-25(17)2/h4-7,11-12,22H,8-10H2,1-3H3,(H,20,23,24)/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265960
(CHEMBL4098608)Show SMILES COCCN1[C@@H](C)Cn2cc(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-13-10-21-20(23-17-5-6-22-25(17)3)24-18(13)15-9-16-19(28)27(7-8-29-4)14(2)11-26(16)12-15/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H,21,23,24)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265961
(CHEMBL4090886)Show InChI InChI=1S/C19H23N7O2/c1-13-11-20-19(22-16-4-5-21-24(16)2)23-17(13)14-10-15-18(27)25(8-9-28-3)6-7-26(15)12-14/h4-5,10-12H,6-9H2,1-3H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265968
(CHEMBL4065992)Show SMILES COCCN1[C@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265971
(CHEMBL4087393)Show SMILES COCCN1[C@@H](C)Cc2[nH]c(cc2C1=O)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C20H25N7O2/c1-12-11-21-20(24-17-5-6-22-26(17)3)25-18(12)16-10-14-15(23-16)9-13(2)27(19(14)28)7-8-29-4/h5-6,10-11,13,23H,7-9H2,1-4H3,(H,21,24,25)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265970
(CHEMBL4097186)Show SMILES O=C1N(Cc2ccccc2)CCc2[nH]c(cc12)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265959
(CHEMBL4071576)Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505991
(CHEMBL4470113)Show SMILES Cc1cnc(Nc2ccnn2C)nc1-c1cc2C(=O)N(Cc3cccc(Cl)c3)CCn2c1 Show InChI InChI=1S/C23H22ClN7O/c1-15-12-25-23(27-20-6-7-26-29(20)2)28-21(15)17-11-19-22(32)31(9-8-30(19)14-17)13-16-4-3-5-18(24)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546393
(CHEMBL4751083)Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(C)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127433 BindingDB Entry DOI: 10.7270/Q2C2511G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50546393
(CHEMBL4751083)Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(C)n3)cc12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of SYK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127393 BindingDB Entry DOI: 10.7270/Q28W3HVM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265938
(CHEMBL4096522)Show SMILES OC[C@@H](N1CCc2[nH]c(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c25-17-11-14(1-2-18(17)26)22(13-32)31-8-4-19-16(23(31)33)12-21(29-19)20-3-7-27-24(30-20)28-15-5-9-34-10-6-15/h1-3,7,11-12,15,22,29,32H,4-6,8-10,13H2,(H,27,28,30)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50265970
(CHEMBL4097186)Show SMILES O=C1N(Cc2ccccc2)CCc2[nH]c(cc12)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c29-22-18-14-21(20-6-10-24-23(27-20)25-17-8-12-30-13-9-17)26-19(18)7-11-28(22)15-16-4-2-1-3-5-16/h1-6,10,14,17,26H,7-9,11-13,15H2,(H,24,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP |
J Med Chem 60: 3438-3450 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00267 BindingDB Entry DOI: 10.7270/Q2FJ2K8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50505994
(CHEMBL4440109)Show SMILES C[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r| Show InChI InChI=1S/C23H22F2N8O/c1-13-9-26-23(29-19-6-7-27-31(19)3)30-20(13)18-12-32-10-14(2)33(22(34)21(32)28-18)11-15-4-5-16(24)17(25)8-15/h4-9,12,14H,10-11H2,1-3H3,(H,26,29,30)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence... |
J Med Chem 62: 11004-11018 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01295 BindingDB Entry DOI: 10.7270/Q24X5C3Z |
More data for this Ligand-Target Pair | |