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Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'qian' and Initial = 'kc'   
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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Jnk2


Bioorg Med Chem Lett 17: 4242-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.042
BindingDB Entry DOI: 10.7270/Q27S7NHZ
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349174
PNG
(CHEMBL1807526)
Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)
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n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50277623
PNG
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)
Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of JNK2alpha2 (unknown origin) by by exchange curve binding kinetic analysis


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349176
PNG
(CHEMBL1807531)
Show SMILES Cc1cccc2n(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C21H21N3O3/c1-14-6-5-9-18-20(14)15(12-22(18)2)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 4.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Jnk2alpha2


Bioorg Med Chem Lett 16: 6316-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.014
BindingDB Entry DOI: 10.7270/Q25M65CN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin G


(Homo sapiens (Human))
BDBM50349173
PNG
(CHEMBL1807638)
Show SMILES Cc1c(C)c2cc(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C23H25N3O3/c1-14-11-17(22-18(12-14)15(2)16(3)24(22)4)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349183
PNG
(CHEMBL1807538)
Show SMILES Cc1cn(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)cccc12
Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)20-15(6-5-7-16(14)20)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 8.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349178
PNG
(CHEMBL1807535)
Show SMILES Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1
Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)19-14(21-27-17(19)10-12)11-23-16-6-4-3-5-15(16)22(20(23)26)8-7-18(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)
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n/an/a 9.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349188
PNG
(CHEMBL1807532)
Show SMILES Cc1cccc2ncc(Cn3c4ccccc4n(CCC(O)=O)c3=O)n12
Show InChI InChI=1S/C19H18N4O3/c1-13-5-4-8-17-20-11-14(23(13)17)12-22-16-7-3-2-6-15(16)21(19(22)26)10-9-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,24,25)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349180
PNG
(CHEMBL1807530)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O
Show InChI InChI=1S/C21H18N2O3/c24-20(25)12-13-22-18-10-3-4-11-19(18)23(21(22)26)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349185
PNG
(CHEMBL1807529)
Show SMILES Cn1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2ccccc12
Show InChI InChI=1S/C20H19N3O3/c1-21-12-14(15-6-2-3-7-16(15)21)13-23-18-9-5-4-8-17(18)22(20(23)26)11-10-19(24)25/h2-9,12H,10-11,13H2,1H3,(H,24,25)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349187
PNG
(CHEMBL1807528)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2nsc3ccccc23)c1=O
Show InChI InChI=1S/C18H15N3O3S/c22-17(23)9-10-20-14-6-2-3-7-15(14)21(18(20)24)11-13-12-5-1-4-8-16(12)25-19-13/h1-8H,9-11H2,(H,22,23)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349189
PNG
(CHEMBL1807533)
Show SMILES Cc1cccn2ncc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C19H18N4O3/c1-13-5-4-9-23-18(13)14(11-20-23)12-22-16-7-3-2-6-15(16)21(19(22)26)10-8-17(24)25/h2-7,9,11H,8,10,12H2,1H3,(H,24,25)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349182
PNG
(CHEMBL1807534)
Show SMILES Cc1cccc2c(cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)n12)C#N
Show InChI InChI=1S/C21H18N4O3/c1-14-5-4-8-17-15(12-22)11-16(25(14)17)13-24-19-7-3-2-6-18(19)23(21(24)28)10-9-20(26)27/h2-8,11H,9-10,13H2,1H3,(H,26,27)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349181
PNG
(CHEMBL1807536)
Show SMILES Cn1ccc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-11-9-14-5-4-6-15(19(14)21)13-23-17-8-3-2-7-16(17)22(20(23)26)12-10-18(24)25/h2-9,11H,10,12-13H2,1H3,(H,24,25)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349179
PNG
(CHEMBL1807537)
Show SMILES Cc1cc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C21H21N3O3/c1-14-12-15-6-5-7-16(20(15)22(14)2)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349186
PNG
(CHEMBL1807539)
Show SMILES Cc1cn(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)18-9-5-6-15(20(14)18)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349184
PNG
(CHEMBL1807527)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2csc3ccccc23)c1=O
Show InChI InChI=1S/C19H16N2O3S/c22-18(23)9-10-20-15-6-2-3-7-16(15)21(19(20)24)11-13-12-25-17-8-4-1-5-14(13)17/h1-8,12H,9-11H2,(H,22,23)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349177
PNG
(CHEMBL1807639)
Show SMILES COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1
Show InChI InChI=1S/C23H25N3O4/c1-14-15(2)24(3)22-16(11-17(30-4)12-18(14)22)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349190
PNG
(CHEMBL1807641)
Show SMILES Cc1c(C)c2ccc(Cl)c(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(13)8-9-17(23)16(21)12-26-19-7-5-4-6-18(19)25(22(26)29)11-10-20(27)28/h4-9H,10-12H2,1-3H3,(H,27,28)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50349175
PNG
(CHEMBL1807637)
Show SMILES Cc1c(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H23N3O3/c1-14-15(2)23(3)21-16(7-6-8-17(14)21)13-25-19-10-5-4-9-18(19)24(22(25)28)12-11-20(26)27/h4-10H,11-13H2,1-3H3,(H,26,27)
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n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50218682
PNG
(CHEMBL243575 | N-[2-(5-tert-butyl-3-methanesulfony...)
Show SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20/h6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37)
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 50: 4016-26 (2007)


Article DOI: 10.1021/jm070415w
BindingDB Entry DOI: 10.7270/Q2697382
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349191
PNG
(CHEMBL1807642)
Show SMILES Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c12
Show InChI InChI=1S/C21H20N2O2S2/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22-21(23)26-11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin G


(Homo sapiens (Human))
BDBM50349172
PNG
(CHEMBL1807640)
Show SMILES Cc1c(C)c2cc(Cl)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(10-16(23)11-17(13)21)12-26-19-7-5-4-6-18(19)25(22(26)29)9-8-20(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349172
PNG
(CHEMBL1807640)
Show SMILES Cc1c(C)c2cc(Cl)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H22ClN3O3/c1-13-14(2)24(3)21-15(10-16(23)11-17(13)21)12-26-19-7-5-4-6-18(19)25(22(26)29)9-8-20(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,27,28)
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n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349173
PNG
(CHEMBL1807638)
Show SMILES Cc1c(C)c2cc(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C23H25N3O3/c1-14-11-17(22-18(12-14)15(2)16(3)24(22)4)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349174
PNG
(CHEMBL1807526)
Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H18N2O3S/c1-13-5-4-8-17-19(13)14(12-26-17)11-22-16-7-3-2-6-15(16)21(20(22)25)10-9-18(23)24/h2-8,12H,9-11H2,1H3,(H,23,24)
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50218689
PNG
(CHEMBL245230 | N-(5-tert-butyl-2-methoxy-3-(3-naph...)
Show SMILES COc1c(NC(=O)Nc2cccc3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C23H27N3O4S/c1-23(2,3)16-13-19(21(30-4)20(14-16)26-31(5,28)29)25-22(27)24-18-12-8-10-15-9-6-7-11-17(15)18/h6-14,26H,1-5H3,(H2,24,25,27)
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n/an/a 79n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349175
PNG
(CHEMBL1807637)
Show SMILES Cc1c(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H23N3O3/c1-14-15(2)23(3)21-16(7-6-8-17(14)21)13-25-19-10-5-4-9-18(19)24(22(25)28)12-11-20(26)27/h4-10H,11-13H2,1-3H3,(H,26,27)
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n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349176
PNG
(CHEMBL1807531)
Show SMILES Cc1cccc2n(C)cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C21H21N3O3/c1-14-6-5-9-18-20(14)15(12-22(18)2)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349192
PNG
(CHEMBL1807643)
Show SMILES Cc1cccc2scc(Cn3c4ccccc4n(CCCC(O)=O)c3=O)c12
Show InChI InChI=1S/C21H20N2O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22(21(23)26)11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)
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n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chymase


(Homo sapiens (Human))
BDBM50349177
PNG
(CHEMBL1807639)
Show SMILES COc1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2n(C)c(C)c(C)c2c1
Show InChI InChI=1S/C23H25N3O4/c1-14-15(2)24(3)22-16(11-17(30-4)12-18(14)22)13-26-20-8-6-5-7-19(20)25(23(26)29)10-9-21(27)28/h5-8,11-12H,9-10,13H2,1-4H3,(H,27,28)
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n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50218682
PNG
(CHEMBL243575 | N-[2-(5-tert-butyl-3-methanesulfony...)
Show SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20/h6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37)
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n/an/a 230n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lyn


J Med Chem 50: 4016-26 (2007)


Article DOI: 10.1021/jm070415w
BindingDB Entry DOI: 10.7270/Q2697382
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349178
PNG
(CHEMBL1807535)
Show SMILES Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1
Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)19-14(21-27-17(19)10-12)11-23-16-6-4-3-5-15(16)22(20(23)26)8-7-18(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)
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n/an/a 280n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 400n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of cRaf


Bioorg Med Chem Lett 17: 4242-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.042
BindingDB Entry DOI: 10.7270/Q27S7NHZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50277623
PNG
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)
Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)
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n/an/a 480n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349179
PNG
(CHEMBL1807537)
Show SMILES Cc1cc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C21H21N3O3/c1-14-12-15-6-5-7-16(20(15)22(14)2)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 570n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349180
PNG
(CHEMBL1807530)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O
Show InChI InChI=1S/C21H18N2O3/c24-20(25)12-13-22-18-10-3-4-11-19(18)23(21(22)26)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349181
PNG
(CHEMBL1807536)
Show SMILES Cn1ccc2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-11-9-14-5-4-6-15(19(14)21)13-23-17-8-3-2-7-16(17)22(20(23)26)12-10-18(24)25/h2-9,11H,10,12-13H2,1H3,(H,24,25)
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n/an/a 620n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349182
PNG
(CHEMBL1807534)
Show SMILES Cc1cccc2c(cc(Cn3c4ccccc4n(CCC(O)=O)c3=O)n12)C#N
Show InChI InChI=1S/C21H18N4O3/c1-14-5-4-8-17-15(12-22)11-16(25(14)17)13-24-19-7-3-2-6-18(19)23(21(24)28)10-9-20(26)27/h2-8,11H,9-10,13H2,1H3,(H,26,27)
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n/an/a 640n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349183
PNG
(CHEMBL1807538)
Show SMILES Cc1cn(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)cccc12
Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)20-15(6-5-7-16(14)20)13-24-18-9-4-3-8-17(18)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 640n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50277623
PNG
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)
Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)
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n/an/a 880n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of craf (unknown origin)


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 17: 4242-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.042
BindingDB Entry DOI: 10.7270/Q27S7NHZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 17: 4242-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.042
BindingDB Entry DOI: 10.7270/Q27S7NHZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50215054
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H38N6O2/c1-24-9-13-27(14-10-24)41-33(21-32(39-41)35(2,3)4)38-34(42)37-31-16-15-28(29-7-5-6-8-30(29)31)25-11-12-26(36-22-25)23-40-17-19-43-20-18-40/h5-16,21-22H,17-20,23H2,1-4H3,(H2,37,38,42)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 4242-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.042
BindingDB Entry DOI: 10.7270/Q27S7NHZ
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349184
PNG
(CHEMBL1807527)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2csc3ccccc23)c1=O
Show InChI InChI=1S/C19H16N2O3S/c22-18(23)9-10-20-15-6-2-3-7-16(15)21(19(20)24)11-13-12-25-17-8-4-1-5-14(13)17/h1-8,12H,9-11H2,(H,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50277623
PNG
(CHEMBL451523 | N-(5-tert-butyl-2-methoxy-3-(3-(4-(...)
Show SMILES COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Inhibition of Lyn (unknown origin)


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349185
PNG
(CHEMBL1807529)
Show SMILES Cn1cc(Cn2c3ccccc3n(CCC(O)=O)c2=O)c2ccccc12
Show InChI InChI=1S/C20H19N3O3/c1-21-12-14(15-6-2-3-7-16(15)21)13-23-18-9-5-4-8-17(18)22(20(23)26)11-10-19(24)25/h2-9,12H,10-11,13H2,1H3,(H,24,25)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50218677
PNG
(CHEMBL242005 | N-(5-tert-butyl-2-methoxy-3-(methyl...)
Show SMILES COc1c(NC(=O)c2cc3ccccc3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C21H24N2O4S2/c1-21(2,3)14-11-15(19(27-4)16(12-14)23-29(5,25)26)22-20(24)18-10-13-8-6-7-9-17(13)28-18/h6-12,23H,1-5H3,(H,22,24)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha (unknown origin) assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs


Bioorg Med Chem Lett 19: 2386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.104
BindingDB Entry DOI: 10.7270/Q22N525R
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349186
PNG
(CHEMBL1807539)
Show SMILES Cc1cn(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c12
Show InChI InChI=1S/C21H21N3O3/c1-14-12-22(2)18-9-5-6-15(20(14)18)13-24-17-8-4-3-7-16(17)23(21(24)27)11-10-19(25)26/h3-9,12H,10-11,13H2,1-2H3,(H,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
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