BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 87 hits from BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329358
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[4-(pyrro...)
Show SMILES N[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CCCC3)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C33H29F4N7O3/c34-24-9-3-21(4-10-24)29(38)30(45)39-25-11-5-20(6-12-25)23-8-14-28-41-32(42-44(28)18-23)40-26-13-7-22(31(46)43-15-1-2-16-43)17-27(26)47-19-33(35,36)37/h3-14,17-18,29H,1-2,15-16,19,38H2,(H,39,45)(H,40,42)/t29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329338
PNG
(4-{[6-(4-{[2R)-2-(4-fluorophenyl)propanoyl]amino}p...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C29H25FN6O3/c1-17(18-3-9-22(30)10-4-18)28(38)32-23-11-5-19(6-12-23)21-8-14-26-34-29(35-36(26)16-21)33-24-13-7-20(27(31)37)15-25(24)39-2/h3-17H,1-2H3,(H2,31,37)(H,32,38)(H,33,35)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329357
PNG
((2R)-2-amino-N-{4-[2-({4-[(3-fluoroazetidin-1-yl)c...)
Show SMILES N[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(F)C3)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C32H26F5N7O3/c33-22-7-1-19(2-8-22)28(38)29(45)39-24-9-3-18(4-10-24)21-6-12-27-41-31(42-44(27)14-21)40-25-11-5-20(30(46)43-15-23(34)16-43)13-26(25)47-17-32(35,36)37/h1-14,23,28H,15-17,38H2,(H,39,45)(H,40,42)/t28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329356
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[2-methox...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C32H30FN7O3/c1-43-27-18-22(31(42)39-16-2-3-17-39)8-14-26(27)36-32-37-28-15-9-23(19-40(28)38-32)20-6-12-25(13-7-20)35-30(41)29(34)21-4-10-24(33)11-5-21/h4-15,18-19,29H,2-3,16-17,34H2,1H3,(H,35,41)(H,36,38)/t29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329355
PNG
((2R)-2-amino-N-[4-(2-{[4-(azetidin-1-ylcarbonyl)-2...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)C(=O)N1CCC1
Show InChI InChI=1S/C31H28FN7O3/c1-42-26-17-21(30(41)38-15-2-16-38)7-13-25(26)35-31-36-27-14-8-22(18-39(27)37-31)19-5-11-24(12-6-19)34-29(40)28(33)20-3-9-23(32)10-4-20/h3-14,17-18,28H,2,15-16,33H2,1H3,(H,34,40)(H,35,37)/t28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329354
PNG
((2R)-2-amino-N-{4-[2-({4-[(3-fluoroazetidin-1-yl)c...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C31H27F2N7O3/c1-43-26-14-20(30(42)39-16-23(33)17-39)6-12-25(26)36-31-37-27-13-7-21(15-40(27)38-31)18-4-10-24(11-5-18)35-29(41)28(34)19-2-8-22(32)9-3-19/h2-15,23,28H,16-17,34H2,1H3,(H,35,41)(H,36,38)/t28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329353
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[2-methox...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)N1CCOC1=O
Show InChI InChI=1S/C30H26FN7O4/c1-41-25-16-23(37-14-15-42-30(37)40)11-12-24(25)34-29-35-26-13-6-20(17-38(26)36-29)18-4-9-22(10-5-18)33-28(39)27(32)19-2-7-21(31)8-3-19/h2-13,16-17,27H,14-15,32H2,1H3,(H,33,39)(H,34,36)/t27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329352
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[4-(methy...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(NC(=O)[C@H](N)c3ccc(F)cc3)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C29H24F4N6O4S/c1-44(41,42)22-11-12-23(24(14-22)43-16-29(31,32)33)36-28-37-25-13-6-19(15-39(25)38-28)17-4-9-21(10-5-17)35-27(40)26(34)18-2-7-20(30)8-3-18/h2-15,26H,16,34H2,1H3,(H,35,40)(H,36,38)/t26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329351
PNG
((2S)—N-{4-[2-({4-[(3-fluoroazetidin-1-yl)carb...)
Show SMILES OC[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(F)C3)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C33H27F5N6O4/c34-23-7-1-20(2-8-23)26(17-45)30(46)39-25-9-3-19(4-10-25)22-6-12-29-41-32(42-44(29)14-22)40-27-11-5-21(31(47)43-15-24(35)16-43)13-28(27)48-18-33(36,37)38/h1-14,24,26,45H,15-18H2,(H,39,46)(H,40,42)/t26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329350
PNG
((2S)-2-(4-fluorophenyl)-3-hydroxy-N-[4-(2-{[2-meth...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](CO)c2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H26FN5O5S/c1-40-26-15-23(41(2,38)39)12-13-25(26)32-29-33-27-14-7-20(16-35(27)34-29)18-5-10-22(11-6-18)31-28(37)24(17-36)19-3-8-21(30)9-4-19/h3-16,24,36H,17H2,1-2H3,(H,31,37)(H,32,34)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329349
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[4-(pyrrolidin-1-...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CCCC3)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C34H30F4N6O3/c1-21(22-4-10-26(35)11-5-22)31(45)39-27-12-6-23(7-13-27)25-9-15-30-41-33(42-44(30)19-25)40-28-14-8-24(32(46)43-16-2-3-17-43)18-29(28)47-20-34(36,37)38/h4-15,18-19,21H,2-3,16-17,20H2,1H3,(H,39,45)(H,40,42)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329348
PNG
((2R)-2-(4-fluorophenyl)-N-{4-[2-({4-[(3-hydroxyaze...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(O)C3)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C33H28F4N6O4/c1-19(20-2-8-24(34)9-3-20)30(45)38-25-10-4-21(5-11-25)23-7-13-29-40-32(41-43(29)15-23)39-27-12-6-22(31(46)42-16-26(44)17-42)14-28(27)47-18-33(35,36)37/h2-15,19,26,44H,16-18H2,1H3,(H,38,45)(H,39,41)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329347
PNG
((2R)—N-{4-[2-({4-[(3-fluoroazetidin-1-yl)carb...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(=O)N3CC(F)C3)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C33H27F5N6O3/c1-19(20-2-8-24(34)9-3-20)30(45)39-26-10-4-21(5-11-26)23-7-13-29-41-32(42-44(29)15-23)40-27-12-6-22(31(46)43-16-25(35)17-43)14-28(27)47-18-33(36,37)38/h2-15,19,25H,16-18H2,1H3,(H,39,45)(H,40,42)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329346
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(pyr...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C33H31FN6O3/c1-21(22-5-11-26(34)12-6-22)31(41)35-27-13-7-23(8-14-27)25-10-16-30-37-33(38-40(30)20-25)36-28-15-9-24(19-29(28)43-2)32(42)39-17-3-4-18-39/h5-16,19-21H,3-4,17-18H2,1-2H3,(H,35,41)(H,36,38)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329345
PNG
(4-{[6-(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(=O)N(C)C
Show InChI InChI=1S/C31H29FN6O3/c1-19(20-5-11-24(32)12-6-20)29(39)33-25-13-7-21(8-14-25)23-10-16-28-35-31(36-38(28)18-23)34-26-15-9-22(17-27(26)41-4)30(40)37(2)3/h5-19H,1-4H3,(H,33,39)(H,34,36)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329344
PNG
((2R)-2-amino-2-(4-fluorophenyl)-N-[4-(2-{[2-methox...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](N)c2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C28H25FN6O4S/c1-39-24-15-22(40(2,37)38)12-13-23(24)32-28-33-25-14-7-19(16-35(25)34-28)17-5-10-21(11-6-17)31-27(36)26(30)18-3-8-20(29)9-4-18/h3-16,26H,30H2,1-2H3,(H,31,36)(H,32,34)/t26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329343
PNG
((−)-2-(4-fluorophenyl)-3-hydroxy-N-[4-(2-{[4...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(NC(=O)[C@H](CO)c3ccc(F)cc3)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H25F4N5O5S/c1-45(42,43)23-11-12-25(26(14-23)44-17-30(32,33)34)36-29-37-27-13-6-20(15-39(27)38-29)18-4-9-22(10-5-18)35-28(41)24(16-40)19-2-7-21(31)8-3-19/h2-15,24,40H,16-17H2,1H3,(H,35,41)(H,36,38)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329342
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(2-o...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)N1CCOC1=O
Show InChI InChI=1S/C31H27FN6O4/c1-19(20-3-8-23(32)9-4-20)29(39)33-24-10-5-21(6-11-24)22-7-14-28-35-30(36-38(28)18-22)34-26-13-12-25(17-27(26)41-2)37-15-16-42-31(37)40/h3-14,17-19H,15-16H2,1-2H3,(H,33,39)(H,34,36)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329341
PNG
((2R)—N-[4-(2-{[4-(azetidin-1-ylcarbonyl)-2-me...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(=O)N1CCC1
Show InChI InChI=1S/C32H29FN6O3/c1-20(21-4-10-25(33)11-5-21)30(40)34-26-12-6-22(7-13-26)24-9-15-29-36-32(37-39(29)19-24)35-27-14-8-23(18-28(27)42-2)31(41)38-16-3-17-38/h4-15,18-20H,3,16-17H2,1-2H3,(H,34,40)(H,35,37)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329340
PNG
((2R)—N-{4-[2-({4-[(3-fluoroazetidin-1-yl)carb...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C32H28F2N6O3/c1-19(20-3-9-24(33)10-4-20)30(41)35-26-11-5-21(6-12-26)23-8-14-29-37-32(38-40(29)16-23)36-27-13-7-22(15-28(27)43-2)31(42)39-17-25(34)18-39/h3-16,19,25H,17-18H2,1-2H3,(H,35,41)(H,36,38)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329339
PNG
(4-{[6-(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)C(N)=O)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C30H24F4N6O3/c1-17(18-2-8-22(31)9-3-18)28(42)36-23-10-4-19(5-11-23)21-7-13-26-38-29(39-40(26)15-21)37-24-12-6-20(27(35)41)14-25(24)43-16-30(32,33)34/h2-15,17H,16H2,1H3,(H2,35,41)(H,36,42)(H,37,39)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329334
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(met...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329335
PNG
((2R)—N-[4-(2-{[2-ethoxy-4-(methylsulfonyl)phe...)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H28FN5O4S/c1-4-40-27-17-25(41(3,38)39)14-15-26(27)33-30-34-28-16-9-22(18-36(28)35-30)21-7-12-24(13-8-21)32-29(37)19(2)20-5-10-23(31)11-6-20/h5-19H,4H2,1-3H3,(H,32,37)(H,33,35)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329336
PNG
((2R)-2-(4-fluorophenyl)-N-[4-(2-{[4-(methylsulfony...)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccc(cc3OCC(F)(F)F)S(C)(=O)=O)nn2c1)c1ccc(F)cc1
Show InChI InChI=1S/C30H25F4N5O4S/c1-18(19-3-8-22(31)9-4-19)28(40)35-23-10-5-20(6-11-23)21-7-14-27-37-29(38-39(27)16-21)36-25-13-12-24(44(2,41)42)15-26(25)43-17-30(32,33)34/h3-16,18H,17H2,1-2H3,(H,35,40)(H,36,38)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329337
PNG
(4-{[6-(4-{[(2R)-2-(4-fluorophenyl)propanoyl]amino}...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)[C@H](C)c2ccc(F)cc2)cc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C31H26F4N6O3/c1-18(19-3-9-23(32)10-4-19)28(42)37-24-11-5-20(6-12-24)22-8-14-27-39-30(40-41(27)16-22)38-25-13-7-21(15-26(25)44-2)29(43)36-17-31(33,34)35/h3-16,18H,17H2,1-2H3,(H,36,43)(H,37,42)(H,38,40)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329359
PNG
(US9663510, Example comparitive example 2)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc2nc(Nc3ccccc3C#N)nn2c1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C29H22N6O/c30-18-21-6-4-5-9-25(21)32-28-33-26-15-12-22(19-35(26)34-28)20-10-13-24(14-11-20)31-27(36)29(16-17-29)23-7-2-1-3-8-23/h1-15,19H,16-17H2,(H,31,36)(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329360
PNG
(US9663510, Example comparitive example disclosed i...)
Show SMILES NC(C(=O)Nc1ccc(cc1)-c1ccc2nc(Nc3ccccc3C(F)(F)F)nn2c1)c1ccccc1
Show InChI InChI=1S/C27H21F3N6O/c28-27(29,30)21-8-4-5-9-22(21)33-26-34-23-15-12-19(16-36(23)35-26)17-10-13-20(14-11-17)32-25(37)24(31)18-6-2-1-3-7-18/h1-16,24H,31H2,(H,32,37)(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM329361
PNG
(US9663510, Example comparitive example 4)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)C2(CC2)c2ccc(F)cc2)cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H26FN5O4S/c1-40-26-17-24(41(2,38)39)12-13-25(26)33-29-34-27-14-5-20(18-36(27)35-29)19-3-10-23(11-4-19)32-28(37)30(15-16-30)21-6-8-22(31)9-7-21/h3-14,17-18H,15-16H2,1-2H3,(H,32,37)(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9663510 (2017)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258372
PNG
(US9505786, 10)
Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)cnc23)c(F)c1
Show InChI InChI=1S/C21H17F2N7O/c1-10-4-5-11(14(23)6-10)9-30-19-13(7-12(22)8-24-19)15(29-30)17-25-18-16(27-28-17)21(2,3)20(31)26-18/h4-8H,9H2,1-3H3,(H,25,26,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258417
PNG
(US9505786, 61)
Show SMILES CC1(C)C(=O)Nc2nc(nc(CC(N)=O)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C23H20FN7O2/c1-23(2)17-15(10-16(25)32)27-20(28-19(17)29-22(23)33)18-13-7-5-9-26-21(13)31(30-18)11-12-6-3-4-8-14(12)24/h3-9H,10-11H2,1-2H3,(H2,25,32)(H,27,28,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258383
PNG
(US9505786, 21)
Show SMILES Cc1nc2n(Cc3ccccc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F
Show InChI InChI=1S/C21H17F2N7O/c1-10-14(23)8-12-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(12)24-10)9-11-6-4-5-7-13(11)22/h4-8H,9H2,1-3H3,(H,25,26,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258381
PNG
(US9505786, 19)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2nc(ccc12)C(F)(F)F
Show InChI InChI=1S/C21H15F4N7O/c1-20(2)15-17(28-19(20)33)27-16(30-29-15)14-11-7-8-13(21(23,24)25)26-18(11)32(31-14)9-10-5-3-4-6-12(10)22/h3-8H,9H2,1-2H3,(H,27,28,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258377
PNG
(US9505786, 15)
Show SMILES CC1(C)C(=O)Nc2nc(nc(-c3ccn[nH]3)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C24H19FN8O/c1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25/h3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258411
PNG
(US9505786, 53)
Show SMILES CCOC(=O)C#Cc1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C26H21FN6O3/c1-4-36-19(34)12-11-18-20-22(31-25(35)26(20,2)3)30-23(29-18)21-16-9-7-13-28-24(16)33(32-21)14-15-8-5-6-10-17(15)27/h5-10,13H,4,14H2,1-3H3,(H,29,30,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258386
PNG
(US9505786, 24)
Show SMILES CC1(C)C(=O)Nc2nc(nc(CNS(C)(=O)=O)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C23H22FN7O3S/c1-23(2)17-16(11-26-35(3,33)34)27-20(28-19(17)29-22(23)32)18-14-8-6-10-25-21(14)31(30-18)12-13-7-4-5-9-15(13)24/h4-10,26H,11-12H2,1-3H3,(H,27,28,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 48n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258394
PNG
(US9505786, 32)
Show SMILES CCCc1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C24H23FN6O/c1-4-8-17-18-20(29-23(32)24(18,2)3)28-21(27-17)19-15-10-7-12-26-22(15)31(30-19)13-14-9-5-6-11-16(14)25/h5-7,9-12H,4,8,13H2,1-3H3,(H,27,28,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258407
PNG
(US9505786, 46)
Show SMILES COCCCc1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C25H25FN6O2/c1-25(2)19-18(11-7-13-34-3)28-22(29-21(19)30-24(25)33)20-16-9-6-12-27-23(16)32(31-20)14-15-8-4-5-10-17(15)26/h4-6,8-10,12H,7,11,13-14H2,1-3H3,(H,28,29,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258397
PNG
(US9505786, 35)
Show SMILES Cc1ncc(s1)-c1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C25H20FN7OS/c1-13-28-11-17(35-13)20-18-21(31-24(34)25(18,2)3)30-22(29-20)19-15-8-6-10-27-23(15)33(32-19)12-14-7-4-5-9-16(14)26/h4-11H,12H2,1-3H3,(H,29,30,31,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258392
PNG
(US9505786, 30)
Show SMILES CC1(C)C(=O)Nc2nc(nc(CCCC(F)(F)F)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C25H22F4N6O/c1-24(2)18-17(10-5-11-25(27,28)29)31-21(32-20(18)33-23(24)36)19-15-8-6-12-30-22(15)35(34-19)13-14-7-3-4-9-16(14)26/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,31,32,33,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258384
PNG
(US9505786, 22)
Show SMILES Cc1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C22H19FN6O/c1-12-16-18(27-21(30)22(16,2)3)26-19(25-12)17-14-8-6-10-24-20(14)29(28-17)11-13-7-4-5-9-15(13)23/h4-10H,11H2,1-3H3,(H,25,26,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258385
PNG
(US9505786, 23)
Show SMILES CC1(CCC=C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C23H20FN7O/c1-3-4-11-23(2)18-20(27-22(23)32)26-19(29-28-18)17-15-9-7-12-25-21(15)31(30-17)13-14-8-5-6-10-16(14)24/h3,5-10,12H,1,4,11,13H2,2H3,(H,26,27,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258409
PNG
(US9505786, 51)
Show SMILES CC1(CC=C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Show InChI InChI=1S/C22H17F2N7O/c1-3-8-22(2)17-19(27-21(22)32)26-18(29-28-17)16-14-9-13(23)10-25-20(14)31(30-16)11-12-6-4-5-7-15(12)24/h3-7,9-10H,1,8,11H2,2H3,(H,26,27,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258412
PNG
(US9505786, 54)
Show SMILES CC1(C)C(=O)Nc2nc(nc(CN3CCCC3=O)c12)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Show InChI InChI=1S/C26H23F2N7O2/c1-26(2)20-18(13-34-9-5-8-19(34)36)30-23(31-22(20)32-25(26)37)21-16-10-15(27)11-29-24(16)35(33-21)12-14-6-3-4-7-17(14)28/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,30,31,32,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 145n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258380
PNG
(US9505786, 18)
Show SMILES CC1(C)C(=O)Nc2nc(nc(\C=C/C3CC3)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C26H23FN6O/c1-26(2)20-19(12-11-15-9-10-15)29-23(30-22(20)31-25(26)34)21-17-7-5-13-28-24(17)33(32-21)14-16-6-3-4-8-18(16)27/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,29,30,31,34)/b12-11-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258370
PNG
(US9505786, 8)
Show SMILES COc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)cnc23)cc1
Show InChI InChI=1S/C21H18FN7O2/c1-21(2)16-18(25-20(21)30)24-17(27-26-16)15-14-8-12(22)9-23-19(14)29(28-15)10-11-4-6-13(31-3)7-5-11/h4-9H,10H2,1-3H3,(H,24,25,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258413
PNG
(US9505786, 55)
Show SMILES CC1(C)C(=O)Nc2nc(nc(CNS(=O)(=O)C3CC3)c12)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Show InChI InChI=1S/C25H23F2N7O3S/c1-25(2)19-18(11-29-38(36,37)15-7-8-15)30-22(31-21(19)32-24(25)35)20-16-9-14(26)10-28-23(16)34(33-20)12-13-5-3-4-6-17(13)27/h3-6,9-10,15,29H,7-8,11-12H2,1-2H3,(H,30,31,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258369
PNG
(US9505786, 7-1)
Show SMILES CC[C@@]1(C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Show InChI InChI=1S/C21H17F2N7O/c1-3-21(2)16-18(26-20(21)31)25-17(28-27-16)15-13-8-12(22)9-24-19(13)30(29-15)10-11-6-4-5-7-14(11)23/h4-9H,3,10H2,1-2H3,(H,25,26,28,31)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258389
PNG
(US9505786, 27)
Show SMILES CCOC(=O)\C=C\c1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C26H23FN6O3/c1-4-36-19(34)12-11-18-20-22(31-25(35)26(20,2)3)30-23(29-18)21-16-9-7-13-28-24(16)33(32-21)14-15-8-5-6-10-17(15)27/h5-13H,4,14H2,1-3H3,(H,29,30,31,35)/b12-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 215n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258401
PNG
(US9505786, 39)
Show SMILES CC(C)n1ccc(n1)-c1nc(nc2NC(=O)C(C)(C)c12)-c1nn(Cc2ccccc2F)c2ncccc12
Show InChI InChI=1S/C27H25FN8O/c1-15(2)35-13-11-19(33-35)22-20-23(32-26(37)27(20,3)4)31-24(30-22)21-17-9-7-12-29-25(17)36(34-21)14-16-8-5-6-10-18(16)28/h5-13,15H,14H2,1-4H3,(H,30,31,32,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM258418
PNG
(US9505786, 5-2)
Show SMILES C[C@@]1(CC2CC2)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Show InChI InChI=1S/C23H19F2N7O/c1-23(9-12-6-7-12)18-20(28-22(23)33)27-19(30-29-18)17-15-8-14(24)10-26-21(15)32(31-17)11-13-4-2-3-5-16(13)25/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28,30,33)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/a7.525



BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9505786 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S6V
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>
Jump to: