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SMILES: COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 518194   
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
Activin receptor type-1 [147-509]


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G50
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G50
More data for this
Ligand-Target Pair
Activin receptor type-1 [147-509]


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G50
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
un-Phosphorylated (UP): The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phos...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G50
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
un-Phosphorylated (UP): The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phos...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G50
More data for this
Ligand-Target Pair
Hepcidin


(Homo sapiens)
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 383n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00206
BindingDB Entry DOI: 10.7270/Q2R78K72
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM518194
PNG
(US11111247, Example 24)
Show SMILES COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
un-Phosphorylated (UP): The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phos...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G50
More data for this
Ligand-Target Pair