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Compile Data Set for Download or QSAR

Found 2 hits of affinity data for UniProtKB/TrEMBL: Q92570   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 4 group A member 3


(Homo sapiens)
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 78n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center

Curated by ChEMBL


Assay Description
Inhibition of Tec (unknown origin)


Eur J Med Chem 145: 96-112 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 3


(Homo sapiens)
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI InChI=1S/C22H23N5O3/c1-2-19(28)26-7-5-14(6-8-26)10-27-11-16(20-21(23)24-12-25-22(20)27)15-3-4-17-18(9-15)30-13-29-17/h2-4,9,11-12,14H,1,5-8,10,13H2,(H2,23,24,25)
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 211n/an/an/an/an/an/a



Sichuan University and Collaborative Innovation Center

Curated by ChEMBL


Assay Description
Inhibition of Tec (unknown origin)


Eur J Med Chem 145: 96-112 (2018)

More data for this
Ligand-Target Pair