Found 17 hits Enz. Inhib. hit(s) with all data for entry = 5971 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 |
|---|
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103302
(SCH772984 | US8546404, 6)Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103295
(US8546404, 462)Show SMILES CO[C@]1(CCN(CC(=O)N2CCN(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C35H35FN8O3/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103292
(US8546404, 1729 | US8546404, 469)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r,c:12| Show InChI InChI=1S/C38H38N8O3/c1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36/h2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44)/t38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103292
(US8546404, 1729 | US8546404, 469)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r,c:12| Show InChI InChI=1S/C38H38N8O3/c1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36/h2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44)/t38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM34531
(US8546404, 459)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r| Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103293
(US8546404, 480)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O3/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103296
(US8546404, 622)Show SMILES CCNc1nnc(o1)-c1ccc(C2=CCN(CC2)C(=O)CN2CC[C@@](C2)(OC)C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c(F)c1 |r,t:13| Show InChI InChI=1S/C36H36F2N8O4/c1-3-39-35-44-43-33(50-35)24-6-10-27(29(38)18-24)22-12-15-46(16-13-22)31(47)20-45-17-14-36(21-45,49-2)34(48)40-26-9-11-30-28(19-26)32(42-41-30)23-4-7-25(37)8-5-23/h4-12,18-19H,3,13-17,20-21H2,1-2H3,(H,39,44)(H,40,48)(H,41,42)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103294
(US8546404, 487)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(C)c3)c2c1 |r,c:12| Show InChI InChI=1S/C36H36N8O3/c1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34/h3-11,14-16,20-21H,12-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM34529
(US8546404, 479 | US8546404, 489)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C14H20N4O4S/c1-4-6-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-9(19)22-5-2/h4-8H2,1-3H3,(H,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM34529
(US8546404, 479 | US8546404, 489)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C14H20N4O4S/c1-4-6-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-9(19)22-5-2/h4-8H2,1-3H3,(H,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM34529
(US8546404, 479 | US8546404, 489)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C14H20N4O4S/c1-4-6-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-9(19)22-5-2/h4-8H2,1-3H3,(H,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103297
(US8546404, 613)Show SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H34FN7O2S/c1-47-36(35(46)40-29-11-12-31-30(21-29)33(42-41-31)26-7-9-28(37)10-8-26)15-20-43(23-36)22-32(45)44-18-13-25(14-19-44)24-3-5-27(6-4-24)34-38-16-2-17-39-34/h2-13,16-17,21H,14-15,18-20,22-23H2,1H3,(H,40,46)(H,41,42)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103289
(US8546404, 336)Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r,c:13| Show InChI InChI=1S/C39H40N8O3/c1-50-25-39(38(49)43-31-9-10-33-32(22-31)36(45-44-33)30-11-17-40-34(21-30)28-5-6-28)14-20-46(24-39)23-35(48)47-18-12-27(13-19-47)26-3-7-29(8-4-26)37-41-15-2-16-42-37/h2-4,7-12,15-17,21-22,28H,5-6,13-14,18-20,23-25H2,1H3,(H,43,49)(H,44,45)/t39-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 18.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103300
(US8546404, 571)Show SMILES C[C@@H]1CN(CCN1C(=O)CN1CCC(C1)(C#C)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccc(cn1)-c1ncccn1 |r| Show InChI InChI=1S/C36H34FN9O2/c1-3-36(35(48)41-28-10-11-30-29(19-28)33(43-42-30)25-5-8-27(37)9-6-25)13-16-44(23-36)22-32(47)46-18-17-45(21-24(46)2)31-12-7-26(20-40-31)34-38-14-4-15-39-34/h1,4-12,14-15,19-20,24H,13,16-18,21-23H2,2H3,(H,41,48)(H,42,43)/t24-,36?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103298
(US8546404, 825)Show SMILES CO[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2F)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12| Show InChI InChI=1S/C36H33F2N7O3/c1-48-36(35(47)41-27-8-10-31-29(20-27)33(43-42-31)24-3-6-26(37)7-4-24)13-18-44(22-36)21-32(46)45-16-11-23(12-17-45)28-9-5-25(19-30(28)38)34-39-14-2-15-40-34/h2-11,14-15,19-20H,12-13,16-18,21-22H2,1H3,(H,41,47)(H,42,43)/t36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103291
(US8546404, 413)Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C(F)(F)F)c2c1 |r,c:13| Show InChI InChI=1S/C37H35F3N8O3/c1-51-23-36(35(50)44-28-7-8-30-29(20-28)33(46-45-30)27-9-15-41-31(19-27)37(38,39)40)12-18-47(22-36)21-32(49)48-16-10-25(11-17-48)24-3-5-26(6-4-24)34-42-13-2-14-43-34/h2-10,13-15,19-20H,11-12,16-18,21-23H2,1H3,(H,44,50)(H,45,46)/t36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 37.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Mus musculus (Mouse)) | BDBM103290
(US8546404, 412)Show SMILES COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:13| Show InChI InChI=1S/C37H36FN7O3/c1-48-24-37(36(47)41-30-11-12-32-31(21-30)34(43-42-32)27-7-9-29(38)10-8-27)15-20-44(23-37)22-33(46)45-18-13-26(14-19-45)25-3-5-28(6-4-25)35-39-16-2-17-40-35/h2-13,16-17,21H,14-15,18-20,22-24H2,1H3,(H,41,47)(H,42,43)/t37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 38.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme
US Patent
| Assay Description
Activated ERK2 activity was determined in the IMAP assay format. |
US Patent US8546404 (2013)
BindingDB Entry DOI: 10.7270/Q2959G61 |
More data for this
Ligand-Target Pair | |
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