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5 similar compounds to monomer 50124578

Wt: 491.0
BDBM50124571
Wt: 339.2
BDBM50124574
Wt: 339.2
BDBM50124576
Wt: 339.2
BDBM50124577
Wt: 203.2
BDBM50124581

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50124571,50124574,50124576,50124577,50124581   
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
β-galactosidase


(Bos taurus (Bovine))
BDBM50124581
PNG
(CHEMBL3621529)
Show SMILES OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


Citation and Details
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50124581
PNG
(CHEMBL3621529)
Show SMILES OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Savitribai Phule Pune University (formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate


Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124576
PNG
(CHEMBL3623736)
Show SMILES OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-2-5-11(8-12)19-10-4-1-3-9(7-10)13(20)21/h1-8,19H,(H,20,21)
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n/an/an/an/a 2.90E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124574
PNG
(CHEMBL3623737)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-4-10(5-7-12)19-11-3-1-2-9(8-11)13(20)21/h1-8,19H,(H,20,21)
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n/an/an/an/a 2.80E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124577
PNG
(CHEMBL3623738)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)
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n/an/an/an/a 2.60E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50124576
PNG
(CHEMBL3623736)
Show SMILES OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-2-5-11(8-12)19-10-4-1-3-9(7-10)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 86n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50124574
PNG
(CHEMBL3623737)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-4-10(5-7-12)19-11-3-1-2-9(8-11)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50124577
PNG
(CHEMBL3623738)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 36n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50124576
PNG
(CHEMBL3623736)
Show SMILES OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-2-5-11(8-12)19-10-4-1-3-9(7-10)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50124574
PNG
(CHEMBL3623737)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-4-10(5-7-12)19-11-3-1-2-9(8-11)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50124577
PNG
(CHEMBL3623738)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 150n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50124577
PNG
(CHEMBL3623738)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)
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n/an/a 2.20E+4n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50124576
PNG
(CHEMBL3623736)
Show SMILES OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-2-5-11(8-12)19-10-4-1-3-9(7-10)13(20)21/h1-8,19H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50124576
PNG
(CHEMBL3623736)
Show SMILES OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-2-5-11(8-12)19-10-4-1-3-9(7-10)13(20)21/h1-8,19H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50124574
PNG
(CHEMBL3623737)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-4-10(5-7-12)19-11-3-1-2-9(8-11)13(20)21/h1-8,19H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50124577
PNG
(CHEMBL3623738)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) using arachidonic acid substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-3


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50124571
PNG
(CHEMBL3623501)
Show SMILES Cl.CCCCS(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c1ccc2CCNCc2c1)C(O)=O
Show InChI InChI=1S/C20H30N4O6S.ClH/c1-2-3-10-31(29,30)24-17(20(27)28)13-23-18(25)7-9-22-19(26)15-5-4-14-6-8-21-12-16(14)11-15;/h4-5,11,17,21,24H,2-3,6-10,12-13H2,1H3,(H,22,26)(H,23,25)(H,27,28);1H/t17-;/m0./s1
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n/an/a 320n/an/an/an/an/an/a



A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine

Curated by ChEMBL


Assay Description
Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50124574
PNG
(CHEMBL3623737)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-4-10(5-7-12)19-11-3-1-2-9(8-11)13(20)21/h1-8,19H,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin) using arachidonic acid substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair