BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 488 hits with Last Name = 'odagiri' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
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
Neuraminidase


(Influenza A virus)
BDBM50182249
PNG
(CHEMBL3818159)
Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S]


(Homo sapiens (Human))
BDBM499813
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...)
Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.370n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S]


(Homo sapiens (Human))
BDBM499811
PNG
(US11020398, Compound I-123 | US20230364079, Exampl...)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.390n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.470n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/67/2005(H1N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Fer


(Homo sapiens (Human))
BDBM50501949
PNG
(CHEMBL4461851)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3cn[nH]c(=O)c23)c1 |r|
Show InChI InChI=1S/C21H23N7O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-28-21(18)29)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,11,16-17H,2-3,7-8,23H2,1H3,(H,28,29)(H2,25,26,27)/t16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged human FER (SH2 domain to C-terminal) expressed in Escherichia coli assessed as decrease in FL-Peptide...


ACS Med Chem Lett 10: 737-742 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00631
BindingDB Entry DOI: 10.7270/Q2WS8XG3
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182249
PNG
(CHEMBL3818159)
Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/394/2005(H5N3)) neuraminidase N3 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499813
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...)
Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 0.560n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499813
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...)
Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 0.560n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/20/2007(H8N4)) neuraminidase N4 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499810
PNG
(N-((S)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoy...)
Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 0.770n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S]


(Homo sapiens (Human))
BDBM499814
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...)
Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182249
PNG
(CHEMBL3818159)
Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.810n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/700/2007(H7N7)) neuraminidase N7 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499811
PNG
(US11020398, Compound I-123 | US20230364079, Exampl...)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.850n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499811
PNG
(US11020398, Compound I-123 | US20230364079, Exampl...)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.850n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499838
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((R)-1- ...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 0.930n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499976
PNG
((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...)
Show SMILES Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC3CCCN3C(=O)C=C)c12 |w:25.27|
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 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499924
PNG
(N-(4-chloro-3-(4-(((3R,6S)-6- (hydroxymethyl)tetra...)
Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4cc5CCCCc5cn4)ccc3Cl)c12 |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 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499869
PNG
(N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...)
Show SMILES CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:7.6,10.13,(-11.74,3.85,;-10.41,3.08,;-10.41,1.54,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;2.92,3.4,;.26,-1.54,)|
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 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499974
PNG
((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...)
Show SMILES CC#CC(=O)N1CCCC1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |w:10.10|
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 0.980n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182249
PNG
(CHEMBL3818159)
Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Shiga/8/2004(H4N6)) neuraminidase N6 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499890
PNG
((S)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...)
Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;8.1,-1.33,;9.19,-2.42,;10.68,-2.02,;11.07,-.53,;9.99,.56,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)|
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 1n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499991
PNG
(US11020398, Compound I-360e | racemic-cis-(2-chlor...)
Show SMILES CN1[C@H](CO)CCC[C@@H]1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.07n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499854
PNG
((4-(((3R,6S)-6-((S)-1- aminoethyl)tetrahydro-2H-py...)
Show SMILES C[C@H](N)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.10n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499892
PNG
(N-((S)-1-((2S,5R)-5-((5-(2-methyl-4- phenoxybenzoy...)
Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12 |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 1.10n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Yamaguchi/20/06(H1N1) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by ...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499881
PNG
((S)-N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-p...)
Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:9.12,6.5,1.1,(-9.05,4.07,;-9.05,2.53,;-10.38,1.76,;-7.72,1.76,;-7.72,.22,;-6.38,2.53,;-5.05,1.76,;-3.72,2.53,;-2.38,1.76,;-2.38,.22,;-3.72,-.55,;-5.05,.22,;-1.05,-.55,;-1.05,-2.09,;-2.38,-2.86,;-2.38,-4.4,;-1.05,-5.17,;.29,-4.4,;1.75,-4.87,;2.66,-3.63,;1.75,-2.38,;2.15,-.89,;1.06,.2,;3.64,-.49,;4.03,.99,;5.52,1.39,;6.61,.3,;8.1,.7,;8.5,2.19,;9.99,2.59,;10.38,4.08,;9.29,5.17,;7.81,4.77,;7.41,3.28,;6.21,-1.18,;4.73,-1.58,;4.33,-3.07,;.29,-2.86,)|
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 1.20n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182249
PNG
(CHEMBL3818159)
Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/Tsukuba/441/05(H11N9) neuraminidase N9 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followe...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499839
PNG
(N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...)
Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;3.37,-.27,;4.86,.13,;5.25,1.62,;6.74,2.02,;7.83,.93,;7.43,-.56,;8.52,-1.65,;10.01,-1.25,;10.41,.24,;9.32,1.33,;4.17,2.71,;2.68,2.31,;1.59,3.4,;-1.07,-1.54,)|
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 1.30n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499855
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((S)-1- ...)
Show SMILES C[C@@H]([C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)N(C)C |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 1.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499888
PNG
((2-chloro-4-phenoxyphenyl)(4-((cis-4- hydroxy-4-me...)
Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.1,wD:1.0,(-8.04,4.21,;-7.64,2.72,;-9.18,2.72,;-7.64,1.18,;-6.3,.41,;-4.97,1.18,;-4.97,2.72,;-6.3,3.49,;-3.64,.41,;-3.64,-1.13,;-4.97,-1.9,;-4.97,-3.44,;-3.64,-4.21,;-2.3,-3.44,;-.84,-3.91,;.07,-2.67,;-.84,-1.42,;-.44,.06,;-1.53,1.15,;1.05,.46,;2.14,-.63,;3.63,-.23,;4.02,1.26,;5.51,1.66,;6.6,.57,;8.09,.97,;9.18,-.12,;8.78,-1.61,;7.29,-2.01,;6.2,-.92,;2.93,2.35,;1.45,1.95,;.36,3.04,;-2.3,-1.9,)|
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 1.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499891
PNG
(2-hydroxy-2-methyl-N-(cis-4-((5-(4- phenoxybenzoyl...)
Show SMILES CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:7.6,10.13,(-10.51,4.52,;-9.74,3.18,;-8.97,4.52,;-11.07,2.41,;-8.41,2.41,;-8.41,.87,;-7.07,3.18,;-5.74,2.41,;-4.41,3.18,;-3.07,2.41,;-3.07,.87,;-4.41,.1,;-5.74,.87,;-1.74,.1,;-1.74,-1.44,;-3.07,-2.21,;-3.07,-3.75,;-1.74,-4.52,;-.4,-3.75,;1.06,-4.22,;1.97,-2.98,;1.06,-1.73,;1.46,-.24,;.37,.85,;2.95,.16,;4.03,-.93,;5.52,-.54,;5.92,.95,;7.41,1.35,;8.5,.26,;8.1,-1.23,;9.19,-2.31,;10.68,-1.92,;11.07,-.43,;9.99,.66,;4.83,2.04,;3.34,1.64,;-.4,-2.21,)|
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 1.40n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499882
PNG
(N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...)
Show SMILES CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:10.13,7.6,(-9.82,3.87,;-9.05,2.53,;-8.28,3.87,;-10.38,1.76,;-7.72,1.76,;-7.72,.22,;-6.38,2.53,;-5.05,1.76,;-3.72,2.53,;-2.38,1.76,;-2.38,.22,;-3.72,-.55,;-5.05,.22,;-1.05,-.55,;-1.05,-2.09,;-2.38,-2.86,;-2.38,-4.4,;-1.05,-5.17,;.29,-4.4,;1.75,-4.87,;2.66,-3.63,;1.75,-2.38,;2.15,-.89,;1.06,.2,;3.64,-.49,;4.03,.99,;5.52,1.39,;6.61,.3,;8.1,.7,;8.5,2.19,;9.99,2.59,;10.38,4.08,;9.29,5.17,;7.81,4.77,;7.41,3.28,;6.21,-1.18,;4.73,-1.58,;4.33,-3.07,;.29,-2.86,)|
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 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499870
PNG
((2-chloro-4-(3- fluorophenoxy)phenyl)(4-(((3R,6S)-...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(F)c4)cc3Cl)c12 |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 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499889
PNG
((2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxy-4-...)
Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.0,wD:1.1,(-8.06,4.21,;-7.66,2.72,;-9.15,2.32,;-7.66,1.18,;-6.33,.41,;-5,1.18,;-5,2.72,;-6.33,3.49,;-3.66,.41,;-3.66,-1.13,;-5,-1.9,;-5,-3.44,;-3.66,-4.21,;-2.33,-3.44,;-.86,-3.91,;.04,-2.67,;-.86,-1.42,;-.46,.06,;-1.55,1.15,;1.02,.46,;2.11,-.63,;3.6,-.23,;4,1.26,;5.49,1.66,;6.57,.57,;8.06,.97,;9.15,-.12,;8.75,-1.61,;7.26,-2.01,;6.18,-.92,;2.91,2.35,;1.42,1.95,;.33,3.04,;-2.33,-1.9,)|
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 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499893
PNG
(N-(((2S,5R)-5-((5-(4-phenoxybenzoyl)- 7H-pyrrolo[2...)
Show SMILES CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |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 1.60n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499885
PNG
((4-(((3R,6S)-6-((R)-1- hydroxyethyl)tetrahydro-2H-...)
Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12 |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 1.60n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499815
PNG
(N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)-7H-...)
Show SMILES CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.63n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499857
PNG
((2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxycyc...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.7,wD:1.0,(-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,.77,;-5.07,1.54,;-5.07,3.08,;-6.41,3.85,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;.26,3.4,;-2.41,-1.54,)|
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 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499876
PNG
((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-(2-hydro...)
Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/mallard/Hokkaido/24/2009(H5N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins f...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499865
PNG
((2-chloro-4-phenoxyphenyl)(4-((trans- 4-((dimethyl...)
Show SMILES CN(C)C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,8.11,wD:4.4,(-8.38,.22,;-8.38,1.76,;-9.72,2.53,;-7.05,2.53,;-5.72,1.76,;-5.72,3.3,;-5.72,.22,;-4.38,-.55,;-3.05,.22,;-3.05,1.76,;-4.38,2.53,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)|
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 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Narita/1/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 mins...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50182249
PNG
(CHEMBL3818159)
Show SMILES OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H26N2O4.H3O4P/c1-4-12(5-2)21-8-11-6-10(15(19)20)7-13(16)14(11)17-9(3)18;1-5(2,3)4/h7,11-14H,4-6,8,16H2,1-3H3,(H,17,18)(H,19,20);(H3,1,2,3,4)/t11-,13-,14-;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Aichi/102/2008(H3N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by...


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499867
PNG
(US11020398, Compound I-179 | rac-(2-chloro-4-pheno...)
Show SMILES O[C@@H]1CC[C@@H](C[C@@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.80n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499868
PNG
(US11020398, Compound I-180 | rac-(2-chloro-4-pheno...)
Show SMILES O[C@H]1CC[C@@H](C[C@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.80n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499894
PNG
((R)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...)
Show SMILES C[C@@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,wD:1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;9.99,.56,;11.07,-.53,;10.68,-2.02,;9.19,-2.42,;8.1,-1.33,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)|
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 1.80n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499739
PNG
(1-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]p...)
Show SMILES Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3=O)c12 |r,wU:18.18,21.25,(5.46,-2.49,;5.86,-1,;7.34,-.6,;7.74,.89,;6.65,1.98,;5.17,1.58,;4.77,.09,;3.28,-.31,;2.19,.78,;2.88,-1.8,;3.79,-3.04,;2.88,-4.29,;1.42,-3.81,;.08,-4.58,;-1.25,-3.81,;-1.25,-2.27,;.08,-1.5,;.08,.04,;-1.25,.81,;-2.58,.04,;-3.92,.81,;-3.92,2.35,;-2.58,3.12,;-1.25,2.35,;-5.25,3.12,;-5.73,4.58,;-7.27,4.58,;-7.74,3.12,;-6.5,2.21,;-6.5,.67,;1.42,-2.27,)|
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 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499790
PNG
(N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]p...)
Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.7,10.14,(-6.29,4.52,;-7.06,3.18,;-7.83,4.52,;-8.6,3.18,;-5.73,2.41,;-5.73,.87,;-4.39,3.18,;-3.06,2.41,;-1.73,3.18,;-.39,2.41,;-.39,.87,;-1.73,.1,;-3.06,.87,;.94,.1,;.94,-1.44,;-.39,-2.21,;-.39,-3.75,;.94,-4.52,;2.27,-3.75,;3.74,-4.22,;4.64,-2.98,;3.74,-1.73,;4.14,-.24,;3.05,.85,;5.63,.16,;6.02,1.64,;7.51,2.04,;8.6,.95,;8.2,-.54,;6.71,-.93,;6.32,-2.42,;2.27,-2.21,)|
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 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM499898
PNG
((S)-N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)...)
Show SMILES C[C@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |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 1.90n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...


US Patent US11020398 (2021)


BindingDB Entry DOI: 10.7270/Q2DZ0CFC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 488 total )  |  Next  |  Last  >>
Jump to: