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Compile Data Set for Download or QSAR

Found 654 hits with Last Name = 'meier' and Initial = 'h'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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1.15n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 |t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
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13.7n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 |t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
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22.9n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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45.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86514
PNG
(BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1
Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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55.4n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 |t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
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69.7n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50409115
PNG
(LONAPRISAN)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37|
Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1
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n/an/a 0.00250n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor


J Med Chem 43: 5010-6 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1T90
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50409115
PNG
(LONAPRISAN)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37|
Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1
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n/an/a 0.00360n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor


J Med Chem 43: 5010-6 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1T90
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.0250n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor


J Med Chem 43: 5010-6 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1T90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.0280n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antgonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor


J Med Chem 43: 5010-6 (2001)


BindingDB Entry DOI: 10.7270/Q2VT1T90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50327343
PNG
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)
Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C
Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34)
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n/an/a 0.600n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay


Bioorg Med Chem Lett 20: 5891-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256099
PNG
(US9481672, 281)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C25H21F3N4O5/c1-29-19-10-9-13(11-20(19)30(2)23(29)36)31-12-16(22(34)35)21(33)32(24(31)37)18-8-4-5-14-15(18)6-3-7-17(14)25(26,27)28/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,34,35)/t18-/s2
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n/an/a 1n/an/an/an/a7.5n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50143581
PNG
(7-[4-(4-Fluoro-benzyl)-[1,4]diazepan-1-yl]-2-pheny...)
Show SMILES Fc1ccc(CN2CCCN(CC2)c2ncnc3oc(nc23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H22FN5O/c24-19-9-7-17(8-10-19)15-28-11-4-12-29(14-13-28)21-20-23(26-16-25-21)30-22(27-20)18-5-2-1-3-6-18/h1-3,5-10,16H,4,11-15H2
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n/an/a>1n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibitory activity against human adenosine kinase expressed in E. coli


Bioorg Med Chem Lett 14: 1997-2000 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.082
BindingDB Entry DOI: 10.7270/Q2GQ6X6B
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255962
PNG
(US9481672, 140)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H18ClF3N4O5/c1-3-29-17-9-13(7-8-16(17)28(2)21(29)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-15(18(12)24)23(25,26)27/h4-9,11H,3,10H2,1-2H3,(H,33,34)
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n/an/a 1n/an/an/an/a7.5n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255964
PNG
(US9481672, 142)
Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15ClF6N4O5/c1-31-15-6-5-12(7-16(15)34(20(31)38)10-22(25,26)27)32-9-13(19(36)37)18(35)33(21(32)39)8-11-3-2-4-14(24)17(11)23(28,29)30/h2-7,9H,8,10H2,1H3,(H,36,37)
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n/an/a 1n/an/an/an/a7.5n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255968
PNG
(US9481672, 146)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(CC5CC5)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c1-14-16(4-3-5-19(14)26(27,28)29)12-33-22(34)18(23(35)36)13-31(25(33)38)17-8-9-20-21(10-17)32(11-15-6-7-15)24(37)30(20)2/h3-5,8-10,13,15H,6-7,11-12H2,1-2H3,(H,35,36)
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n/an/a 1n/an/an/an/a7.5n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50143575
PNG
(7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-2...)
Show SMILES C(N1CCC2CN(CC12)c1ncnc2oc(nc12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C23H22N6O/c1-2-4-16(5-3-1)12-28-11-8-18-13-29(14-19(18)28)21-20-23(26-15-25-21)30-22(27-20)17-6-9-24-10-7-17/h1-7,9-10,15,18-19H,8,11-14H2
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n/an/a>1n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibitory activity against human adenosine kinase expressed in E. coli


Bioorg Med Chem Lett 14: 1997-2000 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.082
BindingDB Entry DOI: 10.7270/Q2GQ6X6B
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256036
PNG
(US9481672, 217)
Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H23F3N4O5/c1-13(2)32-21-11-14(7-9-20(21)30(3)24(32)37)31-12-17(23(35)36)22(34)33(25(31)38)19-10-8-15-16(19)5-4-6-18(15)26(27,28)29/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,35,36)/t19-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256064
PNG
(US9481672, 246)
Show SMILES Cn1c2ccc(cc2n(CC(O)C(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H20F6N4O6/c1-33-18-7-5-12(9-19(18)35(23(33)41)11-20(37)26(30,31)32)34-10-15(22(39)40)21(38)36(24(34)42)17-8-6-13-14(17)3-2-4-16(13)25(27,28)29/h2-5,7,9-10,17,20,37H,6,8,11H2,1H3,(H,39,40)/t17-,20?/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256065
PNG
(US9481672, 247)
Show SMILES Cn1c2ccc(cc2n(CCC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H20F6N4O5/c1-33-19-7-5-13(11-20(19)34(23(33)40)10-9-25(27,28)29)35-12-16(22(38)39)21(37)36(24(35)41)18-8-6-14-15(18)3-2-4-17(14)26(30,31)32/h2-5,7,11-12,18H,6,8-10H2,1H3,(H,38,39)/t18-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50143574
PNG
(7-((4aS,7aS)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyri...)
Show SMILES C(N1C[C@@H]2CCCN([C@@H]2C1)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O/c1-3-8-18(9-4-1)14-29-15-20-12-7-13-30(21(20)16-29)23-22-25(27-17-26-23)31-24(28-22)19-10-5-2-6-11-19/h1-6,8-11,17,20-21H,7,12-16H2/t20-,21+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibitory activity against human adenosine kinase expressed in E. coli


Bioorg Med Chem Lett 14: 1997-2000 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.082
BindingDB Entry DOI: 10.7270/Q2GQ6X6B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50327327
PNG
(2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazo...)
Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)cc2)c(c1)C(O)=O
Show InChI InChI=1S/C25H22FN3O3/c1-15-6-4-5-7-22(15)29-24(23(16(2)28-29)17-8-10-18(26)11-9-17)27-21-13-12-19(32-3)14-20(21)25(30)31/h4-14,27H,1-3H3,(H,30,31)
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n/an/a 1.39n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay


Bioorg Med Chem Lett 20: 5891-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50143592
PNG
(7-((3aS,6aS)-1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrr...)
Show SMILES C(N1CC[C@H]2CN(C[C@@H]12)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23N5O/c1-3-7-17(8-4-1)13-28-12-11-19-14-29(15-20(19)28)22-21-24(26-16-25-22)30-23(27-21)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2/t19-,20+/m0/s1
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BAYER AG

Curated by ChEMBL


Assay Description
Inhibitory activity against human adenosine kinase expressed in E. coli


Bioorg Med Chem Lett 14: 1997-2000 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.082
BindingDB Entry DOI: 10.7270/Q2GQ6X6B
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50344356
PNG
(CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...)
Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)
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Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344356
PNG
(CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...)
Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)
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Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM88376
PNG
(US9695131, 13)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1/C24H19F3N8O3/c1-32-18-8-6-12(10-19(18)33(2)22(32)37)34-11-15(20-28-30-31-29-20)21(36)35(23(34)38)17-9-7-13-14(17)4-3-5-16(13)24(25,26)27/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,28,29,30,31)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9695131 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP448Z
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50344367
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)
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Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255944
PNG
(US9481672, 122)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C(F)(F)F)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H16F6N4O5/c1-30-15-7-6-12(8-16(15)31(2)20(30)37)32-10-13(19(35)36)18(34)33(21(32)38)9-11-4-3-5-14(22(24,25)26)17(11)23(27,28)29/h3-8,10H,9H2,1-2H3,(H,35,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255927
PNG
(US9481672, 104)
Show SMILES CCOC(=O)c1cn(-c2cc3n(C)c(=O)n(C)c3cc2F)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H22F4N4O5/c1-4-39-23(36)15-12-33(19-11-21-20(10-17(19)27)31(2)24(37)32(21)3)25(38)34(22(15)35)18-9-8-13-14(18)6-5-7-16(13)26(28,29)30/h5-7,10-12,18H,4,8-9H2,1-3H3/t18-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256062
PNG
(US9481672, 244)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C25H21F3N4O5/c1-3-30-20-11-13(7-9-19(20)29(2)23(30)36)31-12-16(22(34)35)21(33)32(24(31)37)18-10-8-14-15(18)5-4-6-17(14)25(26,27)28/h4-7,9,11-12,18H,3,8,10H2,1-2H3,(H,34,35)/t18-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256059
PNG
(US9481672, 241)
Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C25H18F6N4O5/c1-32-18-7-5-12(9-19(18)34(22(32)39)11-24(26,27)28)33-10-15(21(37)38)20(36)35(23(33)40)17-8-6-13-14(17)3-2-4-16(13)25(29,30)31/h2-5,7,9-10,17H,6,8,11H2,1H3,(H,37,38)/t17-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256046
PNG
(US9481672, 227)
Show SMILES CN1C(=O)C2(CC2)c2cc(ccc12)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H20F3N3O5/c1-30-20-7-5-13(11-18(20)25(9-10-25)23(30)36)31-12-16(22(34)35)21(33)32(24(31)37)19-8-6-14-15(19)3-2-4-17(14)26(27,28)29/h2-5,7,11-12,19H,6,8-10H2,1H3,(H,34,35)/t19-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256043
PNG
(US9481672, 224)
Show SMILES CN1C(=O)C(C)(C)c2cc(ccc12)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H22F3N3O5/c1-25(2)18-11-13(7-9-20(18)30(3)23(25)36)31-12-16(22(34)35)21(33)32(24(31)37)19-10-8-14-15(19)5-4-6-17(14)26(27,28)29/h4-7,9,11-12,19H,8,10H2,1-3H3,(H,34,35)/t19-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255973
PNG
(US9481672, 151)
Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H23F3N4O5/c1-13(2)32-20-10-16(8-9-19(20)29(4)23(32)36)30-12-17(22(34)35)21(33)31(24(30)37)11-15-6-5-7-18(14(15)3)25(26,27)28/h5-10,12-13H,11H2,1-4H3,(H,34,35)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255971
PNG
(US9481672, 149)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(C5CCC5)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c1-14-15(5-3-8-19(14)26(27,28)29)12-32-22(34)18(23(35)36)13-31(25(32)38)17-9-10-20-21(11-17)33(16-6-4-7-16)24(37)30(20)2/h3,5,8-11,13,16H,4,6-7,12H2,1-2H3,(H,35,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256066
PNG
(US9481672, 248)
Show SMILES Cn1c2ccc(cc2n(C2CC2)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C26H21F3N4O5/c1-30-20-9-7-14(11-21(20)32(24(30)37)13-5-6-13)31-12-17(23(35)36)22(34)33(25(31)38)19-10-8-15-16(19)3-2-4-18(15)26(27,28)29/h2-4,7,9,11-13,19H,5-6,8,10H2,1H3,(H,35,36)/t19-/s2
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256083
PNG
(US9481672, 265)
Show SMILES CCN1C(=O)C(C)(C)c2ccc(cc12)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H21ClF3N3O5/c1-4-30-18-10-14(8-9-16(18)24(2,3)22(30)36)31-12-15(21(34)35)20(33)32(23(31)37)11-13-6-5-7-17(19(13)26)25(27,28)29/h5-10,12H,4,11H2,1-3H3,(H,34,35)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256088
PNG
(BDBM256092 | BDBM256093 | US9481672, 270)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(C2CCCc3c(Cl)cccc23)c1=O
Show InChI InChI=1/C24H21ClN4O5/c1-26-19-10-9-13(11-20(19)27(2)23(26)33)28-12-16(22(31)32)21(30)29(24(28)34)18-8-4-5-14-15(18)6-3-7-17(14)25/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,31,32)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256095
PNG
(US9481672, 277)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(C2CCCc3c2cccc3C(F)(F)F)c1=O
Show InChI InChI=1/C25H21F3N4O5/c1-29-19-10-9-13(11-20(19)30(2)23(29)36)31-12-16(22(34)35)21(33)32(24(31)37)18-8-4-5-14-15(18)6-3-7-17(14)25(26,27)28/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,34,35)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256111
PNG
(US9481672, 294)
Show SMILES Cn1c2ccc(cc2oc1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C24H18F3N3O6/c1-28-18-9-8-12(10-19(18)36-23(28)35)29-11-15(21(32)33)20(31)30(22(29)34)17-7-3-4-13-14(17)5-2-6-16(13)24(25,26)27/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,32,33)/t17-/s2
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM256116
PNG
(US9481672, 300)
Show SMILES Cn1c2ccc(cc2sc1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C24H18F3N3O5S/c1-28-18-9-8-12(10-19(18)36-23(28)35)29-11-15(21(32)33)20(31)30(22(29)34)17-7-3-4-13-14(17)5-2-6-16(13)24(25,26)27/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,32,33)/t17-/s2
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255954
PNG
(US9481672, 132)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C24H19F3N4O5/c1-28-18-8-6-12(10-19(18)29(2)22(28)35)30-11-15(21(33)34)20(32)31(23(30)36)17-9-7-13-14(17)4-3-5-16(13)24(25,26)27/h3-6,8,10-11,17H,7,9H2,1-2H3,(H,33,34)/t17-/s2
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255956
PNG
(US9481672, 134)
Show SMILES Cn1c2cc(F)c(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r|
Show InChI InChI=1/C24H18F4N4O5/c1-29-18-8-15(25)17(9-19(18)30(2)22(29)36)31-10-13(21(34)35)20(33)32(23(31)37)16-7-6-11-12(16)4-3-5-14(11)24(26,27)28/h3-5,8-10,16H,6-7H2,1-2H3,(H,34,35)/t16-/s2
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255958
PNG
(US9481672, 136)
Show SMILES CCn1c2ccc(cc2n(CC)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H23F3N4O5/c1-4-29-19-10-9-16(11-20(19)30(5-2)23(29)36)31-13-17(22(34)35)21(33)32(24(31)37)12-15-7-6-8-18(14(15)3)25(26,27)28/h6-11,13H,4-5,12H2,1-3H3,(H,34,35)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255961
PNG
(US9481672, 139)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O
Show InChI InChI=1S/C23H18ClF3N4O5/c1-3-29-17-9-13(7-8-16(17)28(2)21(29)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-15(24)18(12)23(25,26)27/h4-9,11H,3,10H2,1-2H3,(H,33,34)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255963
PNG
(US9481672, 141)
Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C)C(F)(F)F)c1=O
Show InChI InChI=1S/C24H21F3N4O5/c1-4-29-19-10-15(8-9-18(19)28(3)22(29)35)30-12-16(21(33)34)20(32)31(23(30)36)11-14-6-5-7-17(13(14)2)24(25,26)27/h5-10,12H,4,11H2,1-3H3,(H,33,34)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255965
PNG
(US9481672, 143)
Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H15ClF6N4O5/c1-31-15-6-5-12(7-16(15)34(20(31)38)10-22(25,26)27)32-9-13(19(36)37)18(35)33(21(32)39)8-11-3-2-4-14(17(11)24)23(28,29)30/h2-7,9H,8,10H2,1H3,(H,36,37)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
Chymase


(Mesocricetus auratus (Golden hamster))
BDBM255966
PNG
(US9481672, 144)
Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(CC(F)(F)F)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C24H18F6N4O5/c1-12-13(4-3-5-16(12)24(28,29)30)9-33-19(35)15(20(36)37)10-32(22(33)39)14-6-7-17-18(8-14)34(11-23(25,26)27)21(38)31(17)2/h3-8,10H,9,11H2,1-2H3,(H,36,37)
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Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...


US Patent US9481672 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XZ7
More data for this
Ligand-Target Pair
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