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Compile Data Set for Download or QSAR

Found 6019 hits with Last Name = 'guo' and Initial = 'x'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362366
PNG
(CHEMBL1939755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H36N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-14,17-18,26-27H,2-7,15-16,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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0.0450n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344100
PNG
(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362363
PNG
(CHEMBL1939758)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC3)ccc12
Show InChI InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
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0.197n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272456
PNG
(2-((R)-3-oxo-1-tosyl-1,2,3,4-tetrahydroquinoxalin-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C32H36N4O5S/c1-22-9-12-24(13-10-22)42(39,40)36-28-8-4-3-7-27(28)34-32(38)29(36)20-31(37)33-26-15-18-41-30-19-23(11-14-25(26)30)21-35-16-5-2-6-17-35/h3-4,7-14,19,26,29H,2,5-6,15-18,20-21H2,1H3,(H,33,37)(H,34,38)/t26-,29-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362361
PNG
(CHEMBL1939760)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-20-8-11-23(12-9-20)38(36,37)33-15-14-31-28(35)26(33)17-27(34)32-25-7-5-6-22-16-21(10-13-24(22)25)18-30-19-29(2,3)4/h8-16,25-26,30H,5-7,17-19H2,1-4H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362362
PNG
(CHEMBL1939759)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12
Show InChI InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(Homo sapiens (Human))
BDBM200712
PNG
(US9233086, 10A)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H51N7O4/c1-5-34(6-2,41-29(43)24(3)4)31(45)39-27(20-15-23-38-33(36)37)30(44)42-35(21-13-14-22-35)32(46)40-28(25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,16-19,24,27-28H,5-6,13-15,20-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H4,36,37,38)/t27-/m0/s1
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<1n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...


Bioorg Med Chem 26: 356-365 (2018)

More data for this
Ligand-Target Pair
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(Homo sapiens (Human))
BDBM200722
PNG
(US9233086, 10K)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H49Cl2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
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<1n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...


Bioorg Med Chem 26: 356-365 (2018)

More data for this
Ligand-Target Pair
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(Homo sapiens (Human))
BDBM200723
PNG
(US9233086, 10L)
Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1
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<1n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Roset...


Bioorg Med Chem 26: 356-365 (2018)

More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362364
PNG
(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
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1.25n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362365
PNG
(CHEMBL1939756)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12
Show InChI InChI=1S/C24H28N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-13,21-22H,2-4,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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1.64n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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2.60n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...


Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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3.70n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues)


Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344115
PNG
(CHEMBL1777973 | N-((R)-6-(aminomethyl)-1,2,3,4-tet...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12
Show InChI InChI=1S/C24H30N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-10,13,21-22H,2-4,11-12,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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60n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM50454123
PNG
(CHEMBL4216333)
Show SMILES NCC(CCN1CCC(=CC1)c1ccc(Cl)cc1)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C26H33ClN2/c27-25-12-10-21(11-13-25)22-14-17-29(18-15-22)19-16-26(20-28,24-8-4-5-9-24)23-6-2-1-3-7-23/h1-3,6-7,10-14,24H,4-5,8-9,15-20,28H2
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80n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of FITC-MBM1 from full length human menin measured after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 26: 356-365 (2018)

More data for this
Ligand-Target Pair
Nuclear proteasome inhibitor UBLCP1


(Homo sapiens (Human))
BDBM50087856
PNG
(CHEMBL3426913)
Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)
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1.00E+3n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Competitive inhibition of His6-tagged UBLCP1 (unknown origin) expressed in Escherichia coli BL21 cells by Lineweaver-Burk plot analysis in presence o...


Bioorg Med Chem 23: 2798-809 (2015)


Article DOI: 10.1016/j.bmc.2015.03.066
BindingDB Entry DOI: 10.7270/Q2VD7168
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50462601
PNG
(CHEMBL4250607)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)C(O)=O
Show InChI InChI=1S/C9H10FN3O2/c10-7(8(14)15)5-1-3-6(4-2-5)13-9(11)12/h1-4,7H,(H,14,15)(H4,11,12,13)
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2.75E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 1 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)

More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50462601
PNG
(CHEMBL4250607)
Show SMILES NC(=N)Nc1ccc(cc1)C(F)C(O)=O
Show InChI InChI=1S/C9H10FN3O2/c10-7(8(14)15)5-1-3-6(4-2-5)13-9(11)12/h1-4,7H,(H,14,15)(H4,11,12,13)
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3.22E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 2 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)

More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50462600
PNG
(CHEMBL4238387)
Show SMILES CC(=O)OC(C(O)=O)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C11H13N3O4/c1-6(15)18-9(10(16)17)7-2-4-8(5-3-7)14-11(12)13/h2-5,9H,1H3,(H,16,17)(H4,12,13,14)
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3.82E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 1 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)

More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens (Human))
BDBM50462600
PNG
(CHEMBL4238387)
Show SMILES CC(=O)OC(C(O)=O)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C11H13N3O4/c1-6(15)18-9(10(16)17)7-2-4-8(5-3-7)14-11(12)13/h2-5,9H,1H3,(H,16,17)(H4,12,13,14)
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4.37E+5n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Irreversible inhibition of human arginase 2 using thioarginine as substrate measured up to 360 mins by UV micro plate method


Bioorg Med Chem 26: 3939-3946 (2018)

More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362363
PNG
(CHEMBL1939758)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC3)ccc12
Show InChI InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
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n/an/a 0.0840n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362366
PNG
(CHEMBL1939755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H36N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-14,17-18,26-27H,2-7,15-16,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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n/an/a 0.115n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184269
PNG
(US9150577, 139)
Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-16-17(2)32-22-15-19(11-10-18(22)14-23(32)25(34)27-16)24(33)29-26-28-20-8-5-6-9-21(20)31(26)13-7-12-30(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,27,34)(H,28,29,33)/t16-,17+/m0/s1
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n/an/a 0.180n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168025
PNG
(US9073926, 59)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C22H20N6O2/c1-14-10-23-22(30)19-9-16-7-8-18(26-20(16)28(14)19)21(29)25-17-11-24-27(13-17)12-15-5-3-2-4-6-15/h2-9,11,13-14H,10,12H2,1H3,(H,23,30)(H,25,29)/t14-/m1/s1
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n/an/a 0.200n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362364
PNG
(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344100
PNG
(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362324
PNG
(CHEMBL1939944)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1
Show InChI InChI=1S/C20H26Cl2N4O4S/c1-20(2)12-25(3)9-7-16(20)24-17(27)11-14-19(28)23-8-10-26(14)31(29,30)15-6-4-5-13(21)18(15)22/h4-6,8,10,14,16H,7,9,11-12H2,1-3H3,(H,23,28)(H,24,27)/t14-,16+/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362362
PNG
(CHEMBL1939759)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12
Show InChI InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362329
PNG
(CHEMBL1939939)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC1(C)C)C1CCCC1
Show InChI InChI=1S/C25H36N4O4S/c1-18-8-10-20(11-9-18)34(32,33)29-15-13-26-24(31)21(29)16-23(30)27-22-12-14-28(17-25(22,2)3)19-6-4-5-7-19/h8-11,13,15,19,21-22H,4-7,12,14,16-17H2,1-3H3,(H,26,31)(H,27,30)/t21-,22+/m1/s1
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n/an/a 0.247n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184222
PNG
(US9150577, 82)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-4-27-17-8-6-5-7-16(17)25-22(27)26-20(29)15-10-9-14-11-19-21(30)24-13-23(2,3)28(19)18(14)12-15/h5-12H,4,13H2,1-3H3,(H,24,30)(H,25,26,29)
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n/an/a 0.25n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168034
PNG
(US9073926, 68)
Show SMILES CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccncc2)c1
Show InChI InChI=1S/C22H21N7O2/c1-14-4-9-24-22(31)19-10-16-2-3-18(27-20(16)29(14)19)21(30)26-17-11-25-28(13-17)12-15-5-7-23-8-6-15/h2-3,5-8,10-11,13-14H,4,9,12H2,1H3,(H,24,31)(H,26,30)
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n/an/a 0.270n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362365
PNG
(CHEMBL1939756)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12
Show InChI InChI=1S/C24H28N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-13,21-22H,2-4,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362328
PNG
(CHEMBL1939941)
Show SMILES CC1(C)CNCC[C@@H]1NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-7-6-15(19)24-16(26)10-13-18(27)23-8-9-25(13)30(28,29)14-5-3-4-12(20)17(14)21/h3-5,8-9,13,15,22H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,26)/t13-,15+/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362325
PNG
(CHEMBL1939943)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cc(C)c(Cl)cc2C)C(C)(C)C1
Show InChI InChI=1S/C22H31ClN4O4S/c1-14-11-18(15(2)10-16(14)23)32(30,31)27-9-7-24-21(29)17(27)12-20(28)25-19-6-8-26(5)13-22(19,3)4/h7,9-11,17,19H,6,8,12-13H2,1-5H3,(H,24,29)(H,25,28)/t17-,19+/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100340
PNG
(US8501749, 40)
Show SMILES CCCCC(CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C26H30N4O4/c1-5-6-8-19(13-22(31)32)30-25(33)24-20(9-7-10-27-24)29(26(30)34)15-18-14-28(4)21-12-16(2)11-17(3)23(18)21/h7,9-12,14,19H,5-6,8,13,15H2,1-4H3,(H,31,32)
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n/an/a 0.300n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM228536
PNG
(US9340555, 19)
Show SMILES COC(=O)CN(CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c2s1)CC(=O)OC
Show InChI InChI=1S/C31H32FN5O7S/c1-19-5-10-22(32)23(15-19)36-31(41)35-20-6-8-21(9-7-20)44-25-11-13-33-24-16-26(45-29(24)25)30(40)34-12-4-14-37(17-27(38)42-2)18-28(39)43-3/h5-11,13,15-16H,4,12,14,17-18H2,1-3H3,(H,34,40)(H2,35,36,41)
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n/an/a 0.300n/an/an/an/an/a37



Allergan Inc

US Patent


Assay Description
Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium l...


US Patent US9340555 (2016)


BindingDB Entry DOI: 10.7270/Q2K64GZT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362326
PNG
(CHEMBL1939942)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCNCC1(C)C
Show InChI InChI=1S/C21H29ClN4O4S/c1-13-10-17(14(2)9-15(13)22)31(29,30)26-8-7-24-20(28)16(26)11-19(27)25-18-5-6-23-12-21(18,3)4/h7-10,16,18,23H,5-6,11-12H2,1-4H3,(H,24,28)(H,25,27)/t16-,18+/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168027
PNG
(US9073926, 61)
Show SMILES C[C@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H22N6O2/c1-14-15(2)29-20(23(31)25-14)10-17-8-9-19(27-21(17)29)22(30)26-18-11-24-28(13-18)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,25,31)(H,26,30)/t14-,15+/m1/s1
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n/an/a 0.340n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184235
PNG
(US9150577, 98)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C26H30N6O2/c1-26(2)16-27-24(34)22-14-17-10-11-18(15-21(17)32(22)26)23(33)29-25-28-19-8-5-6-9-20(19)31(25)13-7-12-30(3)4/h5-6,8-11,14-15H,7,12-13,16H2,1-4H3,(H,27,34)(H,28,29,33)
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n/an/a 0.380n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168012
PNG
(US9073926, 46)
Show SMILES CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H22N6O2/c1-15-9-10-24-23(31)20-11-17-7-8-19(27-21(17)29(15)20)22(30)26-18-12-25-28(14-18)13-16-5-3-2-4-6-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,24,31)(H,26,30)
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n/an/a 0.390n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM100336
PNG
(US8501749, 36)
Show SMILES CC[C@H](CC(O)=O)n1c(=O)n(Cc2cn(C)c3cc(C)cc(C)c23)c2cccnc2c1=O
Show InChI InChI=1S/C24H26N4O4/c1-5-17(11-20(29)30)28-23(31)22-18(7-6-8-25-22)27(24(28)32)13-16-12-26(4)19-10-14(2)9-15(3)21(16)19/h6-10,12,17H,5,11,13H2,1-4H3,(H,29,30)/t17-/m1/s1
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n/an/a 0.400n/an/an/an/a8.028



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition assay of Chymase.


US Patent US8501749 (2013)


BindingDB Entry DOI: 10.7270/Q28G8JB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362361
PNG
(CHEMBL1939760)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-20-8-11-23(12-9-20)38(36,37)33-15-14-31-28(35)26(33)17-27(34)32-25-7-5-6-22-16-21(10-13-24(22)25)18-30-19-29(2,3)4/h8-16,25-26,30H,5-7,17-19H2,1-4H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362337
PNG
(CHEMBL1939931)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1
Show InChI InChI=1S/C21H30N4O4S/c1-15-5-7-16(8-6-15)30(28,29)25-12-10-22-20(27)17(25)13-19(26)23-18-9-11-24(4)14-21(18,2)3/h5-8,10,12,17-18H,9,11,13-14H2,1-4H3,(H,22,27)(H,23,26)/t17-,18+/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184270
PNG
(US9150577, 140)
Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1
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n/an/a 0.420n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362338
PNG
(CHEMBL1939929)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCNCC1(C)C
Show InChI InChI=1S/C20H28N4O4S/c1-14-4-6-15(7-5-14)29(27,28)24-11-10-22-19(26)16(24)12-18(25)23-17-8-9-21-13-20(17,2)3/h4-7,10-11,16-17,21H,8-9,12-13H2,1-3H3,(H,22,26)(H,23,25)/t16-,17+/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362335
PNG
(CHEMBL1939933)
Show SMILES CCCN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1
Show InChI InChI=1S/C23H34N4O4S/c1-5-12-26-13-10-20(23(3,4)16-26)25-21(28)15-19-22(29)24-11-14-27(19)32(30,31)18-8-6-17(2)7-9-18/h6-9,11,14,19-20H,5,10,12-13,15-16H2,1-4H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
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n/an/a 0.510n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184201
PNG
(US9150577, 57)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1
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n/an/a 0.590n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184260
PNG
(US9150577, 130)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-9-17-7-8-18(10-20(17)28(15)21)22(29)26-19-12-25-27(14-19)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1
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n/an/a 0.600n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184290
PNG
(US9150577, 166)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-3-27-18-7-5-4-6-17(18)25-23(27)26-21(29)16-9-8-15-12-20-22(30)24-11-10-14(2)28(20)19(15)13-16/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,30)(H,25,26,29)
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n/an/a 0.600n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184203
PNG
(US9150577, 59)
Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-22(2)12-23-20(29)18-10-13-8-9-14(11-17(13)27(18)22)19(28)25-21-24-15-6-4-5-7-16(15)26(21)3/h4-11H,12H2,1-3H3,(H,23,29)(H,24,25,28)
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n/an/a 0.620n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
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