Found 6 hits for monomerid = 50007089 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 |
|---|
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH additio... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomal fraction assessed as midazolam-1'-hydroxylation preincubated for 10 mins followed by NADPH addition me... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomal fraction assessed as diclofenac-4'-hydroxylation preincubated for 10 mins followed by NADPH addition m... |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50007089
(CHEMBL3237560)Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r| Show InChI InChI=1S/C17H22FN7O/c1-9-10(18)6-7-14(21-9)23-13-8-15(24-25-16(13)17(20)26)22-12-5-3-2-4-11(12)19/h6-8,11-12H,2-5,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 57: 2683-91 (2014)
Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR |
More data for this
Ligand-Target Pair | |
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