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Compile Data Set for Download or QSAR

Found 525 hits with Last Name = 'hornak' and Initial = 'v'   
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))		BDBM50558092
PNG
(CHEMBL4784814)
Show SMILES C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558095
PNG
(CHEMBL4752314)
Show SMILES C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267789
PNG
(4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C30H29F4N7O3/c1-16-3-4-18(13-41(16)28(43)29(2)14-44-15-29)26-39-23(24-25(35)37-9-10-40(24)26)20-6-5-17(11-21(20)31)27(42)38-22-12-19(7-8-36-22)30(32,33)34/h5-12,16,18H,3-4,13-15H2,1-2H3,(H2,35,37)(H,36,38,42)/t16-,18+/m0/s1
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558093
PNG
(CHEMBL4798236)
Show SMILES C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558088
PNG
(CHEMBL4751655)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267703
PNG
((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267791
PNG
(4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...)
Show SMILES CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H27F4N7O2/c1-3-22(40)39-14-17(5-4-15(39)2)26-37-23(24-25(33)35-10-11-38(24)26)19-7-6-16(12-20(19)29)27(41)36-21-13-18(8-9-34-21)28(30,31)32/h6-13,15,17H,3-5,14H2,1-2H3,(H2,33,35)(H,34,36,41)/t15-,17+/m0/s1
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267819
PNG
(4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...)
Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267790
PNG
(4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H27F4N7O2/c1-15-2-3-18(14-40(15)28(42)16-4-5-16)26-38-23(24-25(34)36-10-11-39(24)26)20-7-6-17(12-21(20)30)27(41)37-22-13-19(8-9-35-22)29(31,32)33/h6-13,15-16,18H,2-5,14H2,1H3,(H2,34,36)(H,35,37,41)/t15-,18+/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558112
PNG
(CHEMBL4799627)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.320n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558090
PNG
(CHEMBL4756290)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.320n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267792
PNG
(4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...)
Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267869
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H27FN8O3/c1-29(15-41-16-29)28(40)37-9-2-3-19(14-37)26-36-23(24-25(32)34-8-10-38(24)26)20-5-4-18(12-21(20)30)27(39)35-22-11-17(13-31)6-7-33-22/h4-8,10-12,19H,2-3,9,14-16H2,1H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50542738
PNG
(CHEMBL4637027)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r|
Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558109
PNG
(CHEMBL4764215)
Show SMILES CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
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n/an/a 0.410n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558097
PNG
(CHEMBL4787427)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2F)c2c(N)nccn12 |r|
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n/an/a 0.410n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558107
PNG
(CHEMBL4743911)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC(F)(F)Cl)ccn2)c2c(N)nccn12 |r|
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n/an/a 0.420n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558094
PNG
(CHEMBL4764139)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1cnoc1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 0.450n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381917
PNG
(CHEMBL2023112)
Show SMILES CC(C)(C(N)=O)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F6N4O4S/c1-22(2,21(31)35)16-4-3-5-17-19(16)34(12-13-6-11-18(23(25,26)27)33-20(13)32-17)39(36,37)15-9-7-14(8-10-15)38-24(28,29)30/h3-11H,12H2,1-2H3,(H2,31,35)(H,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381918
PNG
(CHEMBL2023113)
Show SMILES NC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F6N4O4S/c26-24(27,28)19-10-5-14-13-35(40(37,38)16-8-6-15(7-9-16)39-25(29,30)31)20-17(23(22(32)36)11-2-12-23)3-1-4-18(20)33-21(14)34-19/h1,3-10H,2,11-13H2,(H2,32,36)(H,33,34)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558089
PNG
(CHEMBL4788780)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(O)CCC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267870
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC3CC3)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C31H32FN7O4/c1-31(16-42-17-31)30(41)38-11-2-3-19(15-38)28-37-25(26-27(33)35-10-12-39(26)28)22-7-4-18(13-23(22)32)29(40)36-24-14-21(8-9-34-24)43-20-5-6-20/h4,7-10,12-14,19-20H,2-3,5-6,11,15-17H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558108
PNG
(CHEMBL4783242)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)-n2cccn2)c2c(N)nccn12 |r|
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558091
PNG
(CHEMBL4781173)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)CO)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381916
PNG
(CHEMBL2023111)
Show SMILES CC(C)(O)c1nc(no1)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F6N5O5S/c1-26(2,41)25-38-24(39-45-25)27(13-4-14-27)19-5-3-6-20-22(19)40(15-16-7-12-21(28(30,31)32)37-23(16)36-20)46(42,43)18-10-8-17(9-11-18)44-29(33,34)35/h3,5-12,41H,4,13-15H2,1-2H3,(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400247
PNG
(CHEMBL2179918)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc3ncccc3c12)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)17-7-9-18(10-8-17)36(34,35)33-15-16-6-13-22(26(27,28)29)32-24(16)31-21-12-11-20-19(23(21)33)5-4-14-30-20/h4-14H,15H2,1-3H3,(H,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50542731
PNG
(CHEMBL4642845)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r|
Show InChI InChI=1S/C27H28N2O4/c1-15(2)18-8-19(16-6-7-24-21(11-16)22(28)14-32-24)10-20(9-18)25-13-29-23-5-3-4-17(12-26(30)31)27(23)33-25/h3-11,15,22,25,29H,12-14,28H2,1-2H3,(H,30,31)/t22-,25+/m1/s1
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n/an/a<0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50542741
PNG
(CHEMBL4647950)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)Cn1ccc2cccc(C(O)=O)c12 |r|
Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25?/m1/s1
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n/an/a<0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267867
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H28F3N7O3/c1-29(14-42-15-29)28(41)38-9-2-3-18(13-38)26-37-22(23-25(33)35-8-10-39(23)26)19-5-4-17(11-20(19)30)27(40)36-21-12-16(24(31)32)6-7-34-21/h4-8,10-12,18,24H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t18-/m1/s1
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558110
PNG
(CHEMBL4794031)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
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n/an/a 0.740n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267810
PNG
(4-{8-amino-3-[(3S,6R)-1-propanoyl-6-(trifluorometh...)
Show SMILES CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C30H28F5N7O3/c1-29(14-45-15-29)28(44)42-13-18(6-7-20(42)24(31)32)26-40-22(23-25(36)38-10-11-41(23)26)16-2-4-17(5-3-16)27(43)39-21-12-19(8-9-37-21)30(33,34)35/h2-5,8-12,18,20,24H,6-7,13-15H2,1H3,(H2,36,38)(H,37,39,43)/t18-,20-/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400254
PNG
(CHEMBL2179911)
Show SMILES Cc1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-15-6-5-7-19-21(15)30(14-16-8-13-20(24(25,26)27)29-22(16)28-19)33(31,32)18-11-9-17(10-12-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558098
PNG
(CHEMBL4751902)
Show SMILES COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12 |r|
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50542738
PNG
(CHEMBL4637027)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r|
Show InChI InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50542731
PNG
(CHEMBL4642845)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r|
Show InChI InChI=1S/C27H28N2O4/c1-15(2)18-8-19(16-6-7-24-21(11-16)22(28)14-32-24)10-20(9-18)25-13-29-23-5-3-4-17(12-26(30)31)27(23)33-25/h3-11,15,22,25,29H,12-14,28H2,1-2H3,(H,30,31)/t22-,25+/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267864
PNG
(4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1
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TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558111
PNG
(CHEMBL4796764)
Show SMILES Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400257
PNG
(CHEMBL2179908)
Show SMILES Cc1ccc2Nc3nc(Cl)ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H26ClN3O2S/c1-15-6-12-20-22(16(15)2)28(14-17-7-13-21(25)27-23(17)26-20)31(29,30)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381915
PNG
(CHEMBL2023110)
Show SMILES CC(C)(O)c1nc(no1)C(C)(C)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F6N5O5S/c1-25(2,23-37-24(44-38-23)26(3,4)40)18-6-5-7-19-21(18)39(14-15-8-13-20(27(29,30)31)36-22(15)35-19)45(41,42)17-11-9-16(10-12-17)43-28(32,33)34/h5-13,40H,14H2,1-4H3,(H,35,36)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400246
PNG
(CHEMBL2179473)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(C)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-14(2)17-6-9-19(10-7-17)33(31,32)30-13-18-8-12-21(24(25,26)27)29-23(18)28-20-11-5-15(3)16(4)22(20)30/h5-12,14H,13H2,1-4H3,(H,28,29)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267791
PNG
(4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...)
Show SMILES CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H27F4N7O2/c1-3-22(40)39-14-17(5-4-15(39)2)26-37-23(24-25(33)35-10-11-38(24)26)19-7-6-16(12-20(19)29)27(41)36-21-13-18(8-9-34-21)28(30,31)32/h6-13,15,17H,3-5,14H2,1-2H3,(H2,33,35)(H,34,36,41)/t15-,17+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50542740
PNG
(CHEMBL4646398)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)CN1CCc2cccc(C(O)=O)c12 |r|
Show InChI InChI=1S/C28H30N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-7,10-13,16,24-25,31H,8-9,14-15,29H2,1-2H3,(H,32,33)/t24-,25?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50542740
PNG
(CHEMBL4646398)
Show SMILES CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)CN1CCc2cccc(C(O)=O)c12 |r|
Show InChI InChI=1S/C28H30N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-7,10-13,16,24-25,31H,8-9,14-15,29H2,1-2H3,(H,32,33)/t24-,25?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM50542724
PNG
(CHEMBL4636415)
Show SMILES CC(C)(C#N)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
Show InChI InChI=1S/C27H26N2O4/c1-27(2,16-28)21-10-17(14-32-24-6-4-3-5-19(24)13-26(30)31)9-20(11-21)18-7-8-25-22(12-18)23(29)15-33-25/h3-12,23H,13-15,29H2,1-2H3,(H,30,31)/t23-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ...

J Med Chem 63: 8088-8113 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00279
BindingDB Entry DOI: 10.7270/Q2KS6W36
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267792
PNG
(4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...)
Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/s1
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TBA

Assay Description
Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50381919
PNG
(CHEMBL2023114)
Show SMILES CNC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O4S/c1-33-23(37)24(12-3-13-24)18-4-2-5-19-21(18)36(14-15-6-11-20(25(27,28)29)35-22(15)34-19)41(38,39)17-9-7-16(8-10-17)40-26(30,31)32/h2,4-11H,3,12-14H2,1H3,(H,33,37)(H,34,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting

Bioorg Med Chem 20: 2845-9 (2012)


Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50400249
PNG
(CHEMBL2179916)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(O)c12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)29-13-14-7-12-19(23(24,25)26)28-21(14)27-17-5-4-6-18(30)20(17)29/h4-12,30H,13H2,1-3H3,(H,27,28)
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...

ACS Med Chem Lett 2: 933-937 (2011)


Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558092
PNG
(CHEMBL4784814)
Show SMILES C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM267859
PNG
(4-[8-amino-5-(hydroxymethyl)-3-{(3R)-1-[(3-methylo...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H27F4N7O3/c1-28(14-43-15-28)27(42)39-9-2-3-17(13-39)25-38-22(23-24(34)36-8-10-40(23)25)16-4-5-19(20(30)11-16)26(41)37-21-12-18(6-7-35-21)29(31,32)33/h4-8,10-12,17H,2-3,9,13-15H2,1H3,(H2,34,36)(H,35,37,41)/t17-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50558088
PNG
(CHEMBL4751655)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.5b00463
BindingDB Entry DOI: 10.7270/Q25B065B
More data for this
Ligand-Target Pair
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