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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'verner' and Initial = 'ej'   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589205
PNG
(CHEMBL5174021)
Show SMILES CC(C)(N)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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n/an/a 0n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589186
PNG
(CHEMBL5189379)
Show SMILES CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589207
PNG
(CHEMBL5169419)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50589186
PNG
(CHEMBL5189379)
Show SMILES CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50589186
PNG
(CHEMBL5189379)
Show SMILES CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589202
PNG
(CHEMBL5191633)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50589186
PNG
(CHEMBL5189379)
Show SMILES CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589212
PNG
(CHEMBL5195816)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50557485
PNG
(Prn-1008 | Prn1008 | Rilzabrutinib)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589187
PNG
(CHEMBL5178314)
Show SMILES CN(C)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50557485
PNG
(Prn-1008 | Prn1008 | Rilzabrutinib)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589213
PNG
(CHEMBL3702850)
Show SMILES COCCN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589200
PNG
(CHEMBL5207901)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288051
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (4-bro...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C16H16BrN3O3S/c1-10-15(17)16(23-18-10)19-24(21,22)14-9-5-6-11-12(14)7-4-8-13(11)20(2)3/h4-9,19H,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against human ETA receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589208
PNG
(CHEMBL3702851)
Show SMILES CN1CCN(CC1=O)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM50557485
PNG
(Prn-1008 | Prn1008 | Rilzabrutinib)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM50589186
PNG
(CHEMBL5189379)
Show SMILES CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50557485
PNG
(Prn-1008 | Prn1008 | Rilzabrutinib)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50557485
PNG
(Prn-1008 | Prn1008 | Rilzabrutinib)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589209
PNG
(CHEMBL3702858)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNC(=O)C1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288038
PNG
(Biphenyl-2-sulfonic acid (4-bromo-3-methyl-isoxazo...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Br
Show InChI InChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,19H,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50589191
PNG
(CHEMBL4114766)
Show SMILES CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589191
PNG
(CHEMBL4114766)
Show SMILES CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589201
PNG
(CHEMBL5170583)
Show SMILES CC(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50589191
PNG
(CHEMBL4114766)
Show SMILES CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589211
PNG
(CHEMBL3702855)
Show SMILES CC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589192
PNG
(CHEMBL5204545)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589210
PNG
(CHEMBL3702856)
Show SMILES COC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50589191
PNG
(CHEMBL4114766)
Show SMILES CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288013
PNG
(5-Bromo-N-(4-bromo-3-methyl-isoxazol-5-yl)-2-ethyl...)
Show SMILES CCc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C12H12Br2N2O3S/c1-3-8-4-5-9(13)6-10(8)20(17,18)16-12-11(14)7(2)15-19-12/h4-6,16H,3H2,1-2H3
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589194
PNG
(CHEMBL4114703)
Show SMILES CC(C)\C=C(/C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589188
PNG
(CHEMBL5188669)
Show SMILES CC(C)(N)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589189
PNG
(CHEMBL3702827)
Show SMILES CC1(COC1)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589193
PNG
(CHEMBL3947620)
Show SMILES [H][C@](C)(Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=C\C(C)C)\C#N |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM50589191
PNG
(CHEMBL4114766)
Show SMILES CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288040
PNG
(Biphenyl-2-sulfonic acid (4-chloro-3-methyl-isoxaz...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Cl
Show InChI InChI=1S/C16H13ClN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,19H,1H3
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589195
PNG
(CHEMBL3702838)
Show SMILES CC(C)\C=C(/C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50369720
PNG
(CHEMBL3979355)
Show SMILES [H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589198
PNG
(CHEMBL5203733)
Show SMILES CC(C)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50589206
PNG
(CHEMBL5184084)
Show SMILES CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50034435
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (3,4-d...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3
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n/an/a 5.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human ETA receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589199
PNG
(CHEMBL5202266)
Show SMILES CC(C)\C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288007
PNG
(CHEMBL311138 | N-(4-Bromo-3-methyl-isoxazol-5-yl)-...)
Show SMILES CCc1ccc(CC)c(c1)S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C14H17BrN2O3S/c1-4-10-6-7-11(5-2)12(8-10)21(18,19)17-14-13(15)9(3)16-20-14/h6-8,17H,4-5H2,1-3H3
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n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50557485
PNG
(Prn-1008 | Prn1008 | Rilzabrutinib)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1
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n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589186
PNG
(CHEMBL5189379)
Show SMILES CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589189
PNG
(CHEMBL3702827)
Show SMILES CC1(COC1)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50589190
PNG
(CHEMBL3702829)
Show SMILES CC(C)(CO)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50288045
PNG
(CHEMBL78563 | N-(4-Bromo-3-methyl-isoxazol-5-yl)-5...)
Show SMILES CNc1ccc(C)cc1S(=O)(=O)Nc1onc(C)c1Br
Show InChI InChI=1S/C12H14BrN3O3S/c1-7-4-5-9(14-3)10(6-7)20(17,18)16-12-11(13)8(2)15-19-12/h4-6,14,16H,1-3H3
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50068700
PNG
(Biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C
Show InChI InChI=1S/C17H16N2O3S/c1-12-13(2)18-22-17(12)19-23(20,21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,19H,1-2H3
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n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human ETA receptor in TE 671(ATCC# HTB 139) cell membrane preparation


Bioorg Med Chem Lett 6: 2393-2398 (1996)


Article DOI: 10.1016/0960-894X(96)00441-6
BindingDB Entry DOI: 10.7270/Q22V2G3R
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50589206
PNG
(CHEMBL5184084)
Show SMILES CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
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