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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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null
SMILES:
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
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
15
hits for monomerid = 50593320
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Cytochrome P450 1A2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
JAK3/JAK1
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
451
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
923
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
JAK3/JAK1
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
915
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.19E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
417
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
JAK3/JAK1
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50593320
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
490
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI:
10.7270/Q2QR523S
More data for this
Ligand-Target Pair
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