Found 6 hits for monomerid = 50107848 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 |
|---|
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50107848
(CHEMBL3601185)Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IRAK4-dependent TLR4 signaling in human THP1-XBlue cells containing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of LP... |
Bioorg Med Chem Lett 25: 3203-7 (2015)
BindingDB Entry DOI: 10.7270/Q2S46TR6 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50107848
(CHEMBL3601185)Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human IRAK4 (unknown origin) |
Bioorg Med Chem Lett 25: 3203-7 (2015)
BindingDB Entry DOI: 10.7270/Q2S46TR6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50107848
(CHEMBL3601185)Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 3203-7 (2015)
BindingDB Entry DOI: 10.7270/Q2S46TR6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50107848
(CHEMBL3601185)Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 3203-7 (2015)
BindingDB Entry DOI: 10.7270/Q2S46TR6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50107848
(CHEMBL3601185)Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 3203-7 (2015)
BindingDB Entry DOI: 10.7270/Q2S46TR6 |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor receptor R1
(Homo sapiens (Human)) | BDBM50107848
(CHEMBL3601185)Show SMILES Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r| Show InChI InChI=1S/C26H28N6O3S/c1-14-8-18(9-15(2)28-14)29-26-27-11-19(25-31-21(13-36-25)16-6-4-3-5-7-16)24(32-26)30-20-10-17(12-33)22(34)23(20)35/h3-9,11,13,17,20,22-23,33-35H,10,12H2,1-2H3,(H2,27,28,29,30,32)/t17-,20-,22-,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TNFR in human THP1-XBlue cells containing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of TNFalpha-induced TNFR activa... |
Bioorg Med Chem Lett 25: 3203-7 (2015)
BindingDB Entry DOI: 10.7270/Q2S46TR6 |
More data for this
Ligand-Target Pair | |
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