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7 similar compounds to monomer 50092609

Compile data set for download or QSAR
Wt: 411.5
BDBM50092600
Wt: 395.5
BDBM50092601
Wt: 383.5
BDBM50092602
Wt: 376.3
BDBM50092606
Wt: 331.3
BDBM50092610
Wt: 402.5
BDBM50092617
Wt: 374.4
BDBM50092604
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50092600,50092601,50092602,50092606,50092610,50092617,50092604   
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
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50092604
PNG
(CHEMBL3586218)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
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61n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50092601
PNG
(CHEMBL3586215)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
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66n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50092604
PNG
(CHEMBL3586218)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
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105n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50092602
PNG
(CHEMBL3586216)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC
Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23)
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110n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50092600
PNG
(CHEMBL3586214)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24)
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213n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50092602
PNG
(CHEMBL3586216)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC
Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23)
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300n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50092600
PNG
(CHEMBL3586214)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24)
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419n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50092601
PNG
(CHEMBL3586215)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
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1.26E+3n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50092604
PNG
(CHEMBL3586218)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50092600
PNG
(CHEMBL3586214)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50092600
PNG
(CHEMBL3586214)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C20H33N3O4S/c1-3-11-23(12-4-2)28(25,26)19-8-6-18(7-9-19)20(24)21-10-5-13-22-14-16-27-17-15-22/h6-9H,3-5,10-17H2,1-2H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50092601
PNG
(CHEMBL3586215)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50092602
PNG
(CHEMBL3586216)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC
Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50092604
PNG
(CHEMBL3586218)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50092602
PNG
(CHEMBL3586216)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC)CC
Show InChI InChI=1S/C19H33N3O3S/c1-5-14-22(15-6-2)26(24,25)18-11-9-17(10-12-18)19(23)20-13-16-21(7-3)8-4/h9-12H,5-8,13-16H2,1-4H3,(H,20,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50092601
PNG
(CHEMBL3586215)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C20H33N3O3S/c1-3-13-23(14-4-2)27(25,26)19-10-8-18(9-11-19)20(24)21-12-17-22-15-6-5-7-16-22/h8-11H,3-7,12-17H2,1-2H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 2975-81 (2015)


Article DOI: 10.1016/j.bmc.2015.05.013
BindingDB Entry DOI: 10.7270/Q2WH2RRK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP4 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50092610
PNG
(CHEMBL3586261)
Show SMILES CO[C@@H]1C[C@H]2N3CC[C@]2([C@H]2O[C@@H]12)c1c(C3)cc2OCOc2c1OC
Show InChI InChI=1S/C18H21NO5/c1-20-10-6-12-18(17-15(10)24-17)3-4-19(12)7-9-5-11-14(23-8-22-11)16(21-2)13(9)18/h5,10,12,15,17H,3-4,6-8H2,1-2H3/t10-,12-,15+,17+,18-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate assessed as concentration of 5-thio-2-nitrobenzoic acid ion formed by spectropho...


J Nat Prod 78: 1189-92 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00191
BindingDB Entry DOI: 10.7270/Q2H70HKH
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50092606
PNG
(CHEMBL3586248)
Show SMILES C[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50092606
PNG
(CHEMBL3586248)
Show SMILES C[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H14F6OSi/c1-25(2)13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)15(24,16(18,19)20)17(21,22)23/h3-9,24H,1-2H3
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MMDB

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n/an/a 9.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-alpha1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.004
BindingDB Entry DOI: 10.7270/Q2RR211N
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from rat EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP3 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50092617
PNG
(CHEMBL3586309)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP1 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair