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SMILES: CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50586585   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50586585
PNG
(CHEMBL5090756)
Show SMILES CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DDR1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00868
BindingDB Entry DOI: 10.7270/Q2X352CP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50586585
PNG
(CHEMBL5090756)
Show SMILES CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00868
BindingDB Entry DOI: 10.7270/Q2X352CP
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50586585
PNG
(CHEMBL5090756)
Show SMILES CC(NC(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.52E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00868
BindingDB Entry DOI: 10.7270/Q2X352CP
More data for this
Ligand-Target Pair