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Compile Data Set for Download or QSAR

Found 6 hits of ec50 data for polymerid = 1846   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
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n/an/an/an/a 28n/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097394
PNG
(CHEMBL3586446)
Show SMILES NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)
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n/an/an/an/a 92n/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50388183
PNG
(CHEMBL2057915)
Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1
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n/an/an/an/a 350n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in human whole blood basophils assessed as inhibition of both anti-IgE-stimulated CD63 expression


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50388183
PNG
(CHEMBL2057915)
Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1
Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK in human whole blood B-cells assessed as inhibition of both anti-IgD-stimulated CD69 expression


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097396
PNG
(CHEMBL3586444)
Show SMILES Cc1ccncc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C15H13N5O/c1-8-5-6-18-7-11(8)9-3-2-4-10-12(16)14(15(17)21)20-19-13(9)10/h2-7H,1H3,(H2,16,19)(H2,17,21)
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n/an/an/an/a 2.86E+4n/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50097397
PNG
(CHEMBL3586443)
Show SMILES Cn1cc(cn1)-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C13H12N6O/c1-19-6-7(5-16-19)8-3-2-4-9-10(14)12(13(15)20)18-17-11(8)9/h2-6H,1H3,(H2,14,17)(H2,15,20)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay


Citation and Details
More data for this
Ligand-Target Pair