BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 212 hits from Boehringer Ingelheim Pharma GmbH & Co. KG   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173482
PNG
(4-(2-Oxo-4-phenyl-2,3-dihydro-imidazol-1-yl)-piper...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C39H47Br2N9O5/c40-30-22-26(23-31(41)35(30)51)24-33(45-38(54)49-16-11-29(12-17-49)50-25-34(46-39(50)55)27-6-2-1-3-7-27)36(52)44-32(8-4-5-13-42)37(53)48-20-18-47(19-21-48)28-9-14-43-15-10-28/h1-3,6-7,9-10,14-15,22-23,25,29,32-33,51H,4-5,8,11-13,16-21,24,42H2,(H,44,52)(H,45,54)(H,46,55)/t32-,33+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0500n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173468
PNG
(4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against calcitonin gene related peptide receptor (1 uM) in marmoset tissue homogenates using [125I]-CGRP as radioligand after 180 minutes of...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144555
PNG
(US8969568, 108)
Show SMILES COc1cc(cc(C)c1OC)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C23H25N3O4/c1-13-8-15(9-20(28-3)22(13)29-4)18-11-19-17(6-5-7-24-19)23(26-18)30-14(2)16-10-21(27)25-12-16/h5-9,11,14,16H,10,12H2,1-4H3,(H,25,27)/t14-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144512
PNG
(US8969568, 65)
Show SMILES CC[C@@H](Oc1nc(cc2ncccc12)-c1ccc(OC2CCOCC2)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C27H31N3O5/c1-3-23(18-14-26(31)29-16-18)35-27-20-5-4-10-28-22(20)15-21(30-27)17-6-7-24(25(13-17)32-2)34-19-8-11-33-12-9-19/h4-7,10,13,15,18-19,23H,3,8-9,11-12,14,16H2,1-2H3,(H,29,31)/t18-,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144510
PNG
(US8969568, 63)
Show SMILES COc1cc(ccc1OC1CCOCC1)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C26H29N3O5/c1-16(18-13-25(30)28-15-18)33-26-20-4-3-9-27-22(20)14-21(29-26)17-5-6-23(24(12-17)31-2)34-19-7-10-32-11-8-19/h3-6,9,12,14,16,18-19H,7-8,10-11,13,15H2,1-2H3,(H,28,30)/t16-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144493
PNG
(US8969568, 45)
Show SMILES C[C@@H](Oc1nc(cc2ncccc12)-c1ccc(nc1)N1CCOCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C23H25N5O3/c1-15(17-11-22(29)26-14-17)31-23-18-3-2-6-24-20(18)12-19(27-23)16-4-5-21(25-13-16)28-7-9-30-10-8-28/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,26,29)/t15-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144532
PNG
(US8969568, 85)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)/t13-,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144516
PNG
(US8969568, 69)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(OC([C@H]2CNC(=O)C2)C(F)(F)F)n1
Show InChI InChI=1S/C22H20F3N3O4/c1-30-17-6-5-12(8-18(17)31-2)15-10-16-14(4-3-7-26-16)21(28-15)32-20(22(23,24)25)13-9-19(29)27-11-13/h3-8,10,13,20H,9,11H2,1-2H3,(H,27,29)/t13-,20?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144559
PNG
(US8969568, 112)
Show SMILES COc1cc(ccc1OC(C)C)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C24H27N3O4/c1-14(2)30-21-8-7-16(10-22(21)29-4)19-12-20-18(6-5-9-25-20)24(27-19)31-15(3)17-11-23(28)26-13-17/h5-10,12,14-15,17H,11,13H2,1-4H3,(H,26,28)/t15-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144560
PNG
(US8969568, 113)
Show SMILES CC[C@@H](Oc1nc(cc2ncccc12)-c1ccc(OC(C)C)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C25H29N3O4/c1-5-21(17-12-24(29)27-14-17)32-25-18-7-6-10-26-20(18)13-19(28-25)16-8-9-22(31-15(2)3)23(11-16)30-4/h6-11,13,15,17,21H,5,12,14H2,1-4H3,(H,27,29)/t17-,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144541
PNG
(US8969568, 94)
Show SMILES CC[C@@H](Oc1nc(cc2ncccc12)-c1ccc(OC)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C23H25N3O4/c1-4-19(15-11-22(27)25-13-15)30-23-16-6-5-9-24-18(16)12-17(26-23)14-7-8-20(28-2)21(10-14)29-3/h5-10,12,15,19H,4,11,13H2,1-3H3,(H,25,27)/t15-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144483
PNG
(US8969568, 35)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C23H25N3O5/c1-13(15-10-21(27)25-12-15)31-23-16-6-5-7-24-18(16)11-17(26-23)14-8-19(28-2)22(30-4)20(9-14)29-3/h5-9,11,13,15H,10,12H2,1-4H3,(H,25,27)/t13-,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144518
PNG
(US8969568, 71)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(O[C@@H]([C@H]2CNC(=O)C2)C(F)(F)F)n1
Show InChI InChI=1S/C22H20F3N3O4/c1-30-17-6-5-12(8-18(17)31-2)15-10-16-14(4-3-7-26-16)21(28-15)32-20(22(23,24)25)13-9-19(29)27-11-13/h3-8,10,13,20H,9,11H2,1-2H3,(H,27,29)/t13-,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50173475
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C37H45Br2N9O5/c38-27-21-24(22-28(39)33(27)49)23-31(44-36(52)47-15-10-26(11-16-47)48-32-7-2-1-5-29(32)43-37(48)53)34(50)42-30(6-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-41-14-9-25/h1-2,5,7-9,13-14,21-22,26,30-31,49H,3-4,6,10-12,15-20,23,40H2,(H,42,50)(H,43,53)(H,44,52)/t30-,31+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...


J Med Chem 48: 5921-31 (2005)


Article DOI: 10.1021/jm0490641
BindingDB Entry DOI: 10.7270/Q2KS6R3J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144573
PNG
(US8969568, 126)
Show SMILES C[C@@H](Oc1nc(cc2ncccc12)-c1ccccc1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C20H19N3O2/c1-13(15-10-19(24)22-12-15)25-20-16-8-5-9-21-18(16)11-17(23-20)14-6-3-2-4-7-14/h2-9,11,13,15H,10,12H2,1H3,(H,22,24)/t13-,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144529
PNG
(US8969568, 82)
Show SMILES COCC[C@@H](Oc1nc(cc2ncccc12)-c1ccc(OC)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C24H27N3O5/c1-29-10-8-20(16-12-23(28)26-14-16)32-24-17-5-4-9-25-19(17)13-18(27-24)15-6-7-21(30-2)22(11-15)31-3/h4-7,9,11,13,16,20H,8,10,12,14H2,1-3H3,(H,26,28)/t16-,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144519
PNG
(US8969568, 72)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(OC[C@H]2CNC(=O)O2)n1
Show InChI InChI=1S/C20H19N3O5/c1-25-17-6-5-12(8-18(17)26-2)15-9-16-14(4-3-7-21-16)19(23-15)27-11-13-10-22-20(24)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144489
PNG
(US8969568, 41)
Show SMILES CC[C@@H](Oc1nc(cc2ncccc12)-c1cc(OC)c(OC)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C24H27N3O5/c1-5-19(15-11-22(28)26-13-15)32-24-16-7-6-8-25-18(16)12-17(27-24)14-9-20(29-2)23(31-4)21(10-14)30-3/h6-10,12,15,19H,5,11,13H2,1-4H3,(H,26,28)/t15-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144539
PNG
(US8969568, 92)
Show SMILES CCC(Oc1nc(cc2ncccc12)-c1ccc(OC)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C23H25N3O4/c1-4-19(15-11-22(27)25-13-15)30-23-16-6-5-9-24-18(16)12-17(26-23)14-7-8-20(28-2)21(10-14)29-3/h5-10,12,15,19H,4,11,13H2,1-3H3,(H,25,27)/t15-,19?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144530
PNG
(US8969568, 83)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(O[C@@H](C)C2CNC(=O)C2)n1
Show InChI InChI=1S/C22H23N3O4/c1-13(15-10-21(26)24-12-15)29-22-16-5-4-8-23-18(16)11-17(25-22)14-6-7-19(27-2)20(9-14)28-3/h4-9,11,13,15H,10,12H2,1-3H3,(H,24,26)/t13-,15?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144514
PNG
(US8969568, 67)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(NCc2n[nH]c(=O)o2)n1
Show InChI InChI=1S/C19H17N5O4/c1-26-15-6-5-11(8-16(15)27-2)13-9-14-12(4-3-7-20-14)18(22-13)21-10-17-23-24-19(25)28-17/h3-9H,10H2,1-2H3,(H,21,22)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144494
PNG
(US8969568, 46)
Show SMILES COc1ccc(cn1)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C20H20N4O3/c1-12(14-8-18(25)22-11-14)27-20-15-4-3-7-21-17(15)9-16(24-20)13-5-6-19(26-2)23-10-13/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,25)/t12-,14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144568
PNG
(US8969568, 121)
Show SMILES C[C@@H](Oc1nc(cc2ncccc12)-c1ccc(cc1)C#N)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C21H18N4O2/c1-13(16-9-20(26)24-12-16)27-21-17-3-2-8-23-19(17)10-18(25-21)15-6-4-14(11-22)5-7-15/h2-8,10,13,16H,9,12H2,1H3,(H,24,26)/t13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144507
PNG
(US8969568, 60)
Show SMILES COc1cc(ccc1OC1CCOCC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C25H27N3O5/c1-30-23-12-17(4-5-22(23)33-18-6-9-31-10-7-18)20-13-21-19(3-2-8-26-21)25(28-20)32-15-16-11-24(29)27-14-16/h2-5,8,12-13,16,18H,6-7,9-11,14-15H2,1H3,(H,27,29)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144534
PNG
(US8969568, 87)
Show SMILES COc1cc(OC)cc(c1)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C22H23N3O4/c1-13(15-9-21(26)24-12-15)29-22-18-5-4-6-23-20(18)11-19(25-22)14-7-16(27-2)10-17(8-14)28-3/h4-8,10-11,13,15H,9,12H2,1-3H3,(H,24,26)/t13-,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144456
PNG
(US8969568, 7)
Show SMILES COc1cc(cc(Cl)c1OC)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C22H22ClN3O4/c1-12(14-9-20(27)25-11-14)30-22-15-5-4-6-24-18(15)10-17(26-22)13-7-16(23)21(29-3)19(8-13)28-2/h4-8,10,12,14H,9,11H2,1-3H3,(H,25,27)/t12-,14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144469
PNG
(US8969568, 20)
Show SMILES CC[C@@H](Oc1nc(cc2ncccc12)-c1cc(OC)c(OCCN2CCOCC2)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C29H36N4O6/c1-4-24(20-16-27(34)31-18-20)39-29-21-6-5-7-30-23(21)17-22(32-29)19-14-25(35-2)28(26(15-19)36-3)38-13-10-33-8-11-37-12-9-33/h5-7,14-15,17,20,24H,4,8-13,16,18H2,1-3H3,(H,31,34)/t20-,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144558
PNG
(US8969568, 111)
Show SMILES COc1cc(ccc1OC(C)C)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C23H25N3O4/c1-14(2)30-20-7-6-16(10-21(20)28-3)18-11-19-17(5-4-8-24-19)23(26-18)29-13-15-9-22(27)25-12-15/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,25,27)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144470
PNG
(US8969568, 21)
Show SMILES COc1cc(cc2OCOc12)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C22H21N3O5/c1-12(14-8-20(26)24-10-14)30-22-15-4-3-5-23-17(15)9-16(25-22)13-6-18(27-2)21-19(7-13)28-11-29-21/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,24,26)/t12-,14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144503
PNG
(US8969568, 56)
Show SMILES CCOc1cc(cc(OCC)c1OCC)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C26H31N3O5/c1-5-31-22-11-17(12-23(32-6-2)25(22)33-7-3)20-14-21-19(9-8-10-27-21)26(29-20)34-16(4)18-13-24(30)28-15-18/h8-12,14,16,18H,5-7,13,15H2,1-4H3,(H,28,30)/t16-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144463
PNG
(US8969568, 14)
Show SMILES COc1c(F)cc(cc1F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C21H19F2N3O3/c1-11(13-8-19(27)25-10-13)29-21-14-4-3-5-24-18(14)9-17(26-21)12-6-15(22)20(28-2)16(23)7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,25,27)/t11-,13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144508
PNG
(US8969568, 61)
Show SMILES COc1cc(ccc1O[C@@H]1CCCOC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C25H27N3O5/c1-30-23-11-17(6-7-22(23)33-18-4-3-9-31-15-18)20-12-21-19(5-2-8-26-21)25(28-20)32-14-16-10-24(29)27-13-16/h2,5-8,11-12,16,18H,3-4,9-10,13-15H2,1H3,(H,27,29)/t16-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144515
PNG
(US8969568, 68)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(NCc2n[nH]c(=O)[nH]2)n1
Show InChI InChI=1S/C19H18N6O3/c1-27-15-6-5-11(8-16(15)28-2)13-9-14-12(4-3-7-20-14)18(22-13)21-10-17-23-19(26)25-24-17/h3-9H,10H2,1-2H3,(H,21,22)(H2,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144468
PNG
(US8969568, 19)
Show SMILES COc1cc(cc(OC)c1OCCN1CCOCC1)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C28H34N4O6/c1-18(20-15-26(33)30-17-20)38-28-21-5-4-6-29-23(21)16-22(31-28)19-13-24(34-2)27(25(14-19)35-3)37-12-9-32-7-10-36-11-8-32/h4-6,13-14,16,18,20H,7-12,15,17H2,1-3H3,(H,30,33)/t18-,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.800n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144549
PNG
(US8969568, 102)
Show SMILES COc1cc(ccc1OCC1CCOCC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C26H29N3O5/c1-31-24-12-19(4-5-23(24)33-15-17-6-9-32-10-7-17)21-13-22-20(3-2-8-27-22)26(29-21)34-16-18-11-25(30)28-14-18/h2-5,8,12-13,17-18H,6-7,9-11,14-16H2,1H3,(H,28,30)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144495
PNG
(US8969568, 47 | US8969568, 52 | US8969568, 78)
Show SMILES COc1ccc(cc1OC)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C21H21N3O4/c1-26-18-6-5-14(9-19(18)27-2)16-10-17-15(4-3-7-22-17)21(24-16)28-12-13-8-20(25)23-11-13/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50228394
PNG
((R)-2-(2-(2-(8-(3-aminopiperidin-1-yl)-7-(but-2-yn...)
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C26H31N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h6-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in Caco2 cells by fluorescene assay


J Med Chem 50: 6450-3 (2007)


Article DOI: 10.1021/jm701280z
BindingDB Entry DOI: 10.7270/Q2639PGG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144502
PNG
(US8969568, 55)
Show SMILES COc1cc(ccc1O[C@@H]1CCOC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C24H25N3O5/c1-29-22-10-16(4-5-21(22)32-17-6-8-30-14-17)19-11-20-18(3-2-7-25-20)24(27-19)31-13-15-9-23(28)26-12-15/h2-5,7,10-11,15,17H,6,8-9,12-14H2,1H3,(H,26,28)/t15-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144459
PNG
(US8969568, 10)
Show SMILES COc1cc(ccc1OC1CCS(=O)(=O)CC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C25H27N3O6S/c1-32-23-12-17(4-5-22(23)34-18-6-9-35(30,31)10-7-18)20-13-21-19(3-2-8-26-21)25(28-20)33-15-16-11-24(29)27-14-16/h2-5,8,12-13,16,18H,6-7,9-11,14-15H2,1H3,(H,27,29)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144471
PNG
(US8969568, 22)
Show SMILES C[C@@H](Oc1nc(cc2ncccc12)-c1ccc(=O)[nH]c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C19H18N4O3/c1-11(13-7-18(25)22-10-13)26-19-14-3-2-6-20-16(14)8-15(23-19)12-4-5-17(24)21-9-12/h2-6,8-9,11,13H,7,10H2,1H3,(H,21,24)(H,22,25)/t11-,13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in Caco2 cells by fluorescene assay


J Med Chem 50: 6450-3 (2007)


Article DOI: 10.1021/jm701280z
BindingDB Entry DOI: 10.7270/Q2639PGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144476
PNG
(US8969568, 27)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2ncccc2c(OC[C@H]2CNC(=O)O2)n1
Show InChI InChI=1S/C21H21N3O6/c1-26-17-7-12(8-18(27-2)19(17)28-3)15-9-16-14(5-4-6-22-16)20(24-15)29-11-13-10-23-21(25)30-13/h4-9,13H,10-11H2,1-3H3,(H,23,25)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144501
PNG
(US8969568, 54)
Show SMILES COc1cc(ccc1O[C@H]1CCOC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C24H25N3O5/c1-29-22-10-16(4-5-21(22)32-17-6-8-30-14-17)19-11-20-18(3-2-7-25-20)24(27-19)31-13-15-9-23(28)26-12-15/h2-5,7,10-11,15,17H,6,8-9,12-14H2,1H3,(H,26,28)/t15-,17+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144545
PNG
(US8969568, 98)
Show SMILES CCCC(Oc1nc(cc2ncccc12)-c1ccc(OC)c(OC)c1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C24H27N3O4/c1-4-6-20(16-12-23(28)26-14-16)31-24-17-7-5-10-25-19(17)13-18(27-24)15-8-9-21(29-2)22(11-15)30-3/h5,7-11,13,16,20H,4,6,12,14H2,1-3H3,(H,26,28)/t16-,20?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144509
PNG
(US8969568, 62)
Show SMILES COc1cc(ccc1O[C@H]1CCCOC1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C25H27N3O5/c1-30-23-11-17(6-7-22(23)33-18-4-3-9-31-15-18)20-12-21-19(5-2-8-26-21)25(28-20)32-14-16-10-24(29)27-13-16/h2,5-8,11-12,16,18H,3-4,9-10,13-15H2,1H3,(H,27,29)/t16-,18+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144453
PNG
(US8969568, 4)
Show SMILES COc1cc(ccc1OC(F)(F)F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C22H20F3N3O4/c1-12(14-9-20(29)27-11-14)31-21-15-4-3-7-26-17(15)10-16(28-21)13-5-6-18(19(8-13)30-2)32-22(23,24)25/h3-8,10,12,14H,9,11H2,1-2H3,(H,27,29)/t12-,14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50228392
PNG
((S)-8-(3-aminopiperidin-1-yl)-1-(isoquinolin-1-ylm...)
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12)N1CCC[C@H](N)C1
Show InChI InChI=1S/C26H31N7O2/c1-17(2)11-14-32-22-23(29-25(32)31-13-6-8-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-9-5-4-7-18(20)10-12-28-21/h4-5,7,9-12,19H,6,8,13-16,27H2,1-3H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in Caco2 cells by fluorescene assay


J Med Chem 50: 6450-3 (2007)


Article DOI: 10.1021/jm701280z
BindingDB Entry DOI: 10.7270/Q2639PGG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144504
PNG
(US8969568, 103 | US8969568, 104 | US8969568, 105 |...)
Show SMILES Cc1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C14H15N3O2/c1-9-5-12-11(3-2-4-15-12)14(17-9)19-8-10-6-13(18)16-7-10/h2-5,10H,6-8H2,1H3,(H,16,18)/t10-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM144565
PNG
(US8969568, 118)
Show SMILES COc1ccc(cc1)-c1cc2ncccc2c(OC[C@H]2CNC(=O)C2)n1
Show InChI InChI=1S/C20H19N3O3/c1-25-15-6-4-14(5-7-15)17-10-18-16(3-2-8-21-18)20(23-17)26-12-13-9-19(24)22-11-13/h2-8,10,13H,9,11-12H2,1H3,(H,22,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 212 total )  |  Next  |  Last  >>
Jump to: