Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50018195 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 kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466705
(US10800761, Example 24)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C |r| Show InChI InChI=1S/C29H27FN6O2/c1-17-21(5-4-11-31-17)18-8-9-23(25(13-18)36-16-19-14-20(36)15-33-19)35-29(37)24-10-12-32-28(34-24)27-22(30)6-3-7-26(27)38-2/h3-13,19-20,33H,14-16H2,1-2H3,(H,35,37)/t19-,20-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466682
(US10800761, Example 1 | US11731958, Example 1)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H]2C[C@@H]1CN2 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-32-20-4-2-3-16(25)21(20)22-26-8-7-17(28-22)23(31)29-18-9-13(24)5-6-19(18)30-12-14-10-15(30)11-27-14/h2-9,14-15,27H,10-12H2,1H3,(H,29,31)/t14-,15-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466723
(US10800761, Example 42 | US10800761, Example 55 | ...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N |r| Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50406013
(CHEMBL5267188)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(CF)=CC(C)(CF)Nc12 |c:19| Show InChI InChI=1S/C18H21F2N5O/c1-18(9-20)6-12(7-19)13-4-10(5-14(26-2)15(13)25-18)3-11-8-23-17(22)24-16(11)21/h4-6,8,25H,3,7,9H2,1-2H3,(H4,21,22,23,24) | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466727
(US10800761, Example 46 | US11731958, Example 46)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ncccc1C#N |r| Show InChI InChI=1S/C29H26FN7O3/c1-40-25-6-2-5-21(30)26(25)28-34-11-9-23(35-28)29(39)36-22-8-7-17(27-18(14-31)4-3-10-33-27)12-24(22)37-15-19(32)13-20(37)16-38/h2-12,19-20,38H,13,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM459441
(US10752635, Example 3, Peak 1 | US11492354, Exampl...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](N)C[C@H]1CO |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-22-15(10-30-33)23(34-11-13(28)8-14(34)12-35)19(9-17(22)27)32-25(36)18-6-7-29-24(31-18)21-16(26)4-3-5-20(21)37-2/h3-7,9-10,13-14,35H,8,11-12,28H2,1-2H3,(H,32,36)/t13-,14-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Dihydrofolate reductase obtained from rat liver; Range 260-370 |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466687
(US10800761, Example 6 | US11731958, Example 6 | US...)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO |r| Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-17(28-22)23(32)29-18-9-13(24)5-6-19(18)30-11-14(26)10-15(30)12-31/h2-9,14-15,31H,10-12,26H2,1H3,(H,29,32)/t14-,15-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466724
(US10800761, Example 43 | US11731958, Example 43)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cccnc1C |r| Show InChI InChI=1S/C29H29FN6O3/c1-17-21(5-4-11-32-17)18-8-9-23(25(13-18)36-15-19(31)14-20(36)16-37)35-29(38)24-10-12-33-28(34-24)27-22(30)6-3-7-26(27)39-2/h3-13,19-20,37H,14-16,31H2,1-2H3,(H,35,38)/t19-,20-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 819 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM466728
(US10800761, Example 47 | US11731958, Example 47)Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(cnn1C)C#N |r| Show InChI InChI=1S/C28H27FN8O3/c1-36-26(17(12-30)13-33-36)16-6-7-21(23(10-16)37-14-18(31)11-19(37)15-38)35-28(39)22-8-9-32-27(34-22)25-20(29)4-3-5-24(25)40-2/h3-10,13,18-19,38H,11,14-15,31H2,1-2H3,(H,35,39)/t18-,19-/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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