Found 4 hits for monomerid = 50369720 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM50369720
(CHEMBL3979355)Show SMILES [H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shaanxi University of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibition of ErbB4/HER4 (unknown origin) |
Eur J Med Chem 151: 315-326 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50369720
(CHEMBL3979355)Show SMILES [H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50369720
(CHEMBL3979355)Show SMILES [H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shaanxi University of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Eur J Med Chem 151: 315-326 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0 |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50369720
(CHEMBL3979355)Show SMILES [H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r| Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shaanxi University of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibition of JAK (unknown origin) |
Eur J Med Chem 151: 315-326 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0 |
More data for this
Ligand-Target Pair | |
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