BindingDB logo
myBDB logout

null

SMILES: C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1

InChI Key: InChIKey=WDHJXPHWQBPKAW-MOXGXCLJSA-N

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 = 325490   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM325490
PNG
(US10189845, Example 152B | US10730880, Example 152...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair