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14 similar compounds to monomer 50181524

Wt: 487.3
BDBM50181506
Wt: 439.9
BDBM50156536
Wt: 504.9
BDBM50181503
Wt: 477.3
BDBM50181509
Wt: 295.2
BDBM50181514
Wt: 241.2
BDBM50181516
Wt: 227.2
BDBM50181517
Wt: 316.3
BDBM50181523
Wt: 301.3
BDBM50181529
Wt: 490.8
BDBM50181512
Wt: 493.7
BDBM50181513
Wt: 451.9
BDBM50156537
Wt: 444.3
BDBM50156540
Wt: 375.4
BDBM50156544

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50181506,50156536,50181503,50181509,50181514,50181516,50181517,50181523,50181529,50181512,50181513,50156537,50156540,50156544   
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
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156536
PNG
(CHEMBL3794585)
Show SMILES COc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show InChI InChI=1/C20H22ClNO6S/c1-26-18-6-10(2-4-13(18)21)27-8-12-11-3-5-16(28-17(11)7-15(12)23)19-22-14(9-29-19)20(24)25/h2,4,6,9,11-12,15-17,23H,3,5,7-8H2,1H3,(H,24,25)/t11-,12-,15-,16-,17+/s2
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n/an/an/an/a 1.80n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181516
PNG
(CHEMBL3819390)
Show SMILES Nc1nc2[nH]c(SCCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O2S/c9-7-11-5-4(6(15)13-7)10-8(12-5)16-3-1-2-14/h14H,1-3H2,(H4,9,10,11,12,13,15)
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n/an/an/a 4.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156540
PNG
(CHEMBL3793802)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(Cl)c1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H19Cl2NO5S/c20-12-3-1-9(5-13(12)21)26-7-11-10-2-4-16(27-17(10)6-15(11)23)18-22-14(8-28-18)19(24)25/h1,3,5,8,10-11,15-17,23H,2,4,6-7H2,(H,24,25)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a 0.570n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a 13n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156540
PNG
(CHEMBL3793802)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(Cl)c1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H19Cl2NO5S/c20-12-3-1-9(5-13(12)21)26-7-11-10-2-4-16(27-17(10)6-15(11)23)18-22-14(8-28-18)19(24)25/h1,3,5,8,10-11,15-17,23H,2,4,6-7H2,(H,24,25)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156537
PNG
(CHEMBL3793020)
Show SMILES CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show InChI InChI=1/C22H26ClNO5S/c1-11(2)14-7-12(3-5-16(14)23)28-9-15-13-4-6-19(29-20(13)8-18(15)25)21-24-17(10-30-21)22(26)27/h3,5,7,10-11,13,15,18-20,25H,4,6,8-9H2,1-2H3,(H,26,27)/t13-,15-,18-,19-,20+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156536
PNG
(CHEMBL3794585)
Show SMILES COc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show InChI InChI=1/C20H22ClNO6S/c1-26-18-6-10(2-4-13(18)21)27-8-12-11-3-5-16(28-17(11)7-15(12)23)19-22-14(9-29-19)20(24)25/h2,4,6,9,11-12,15-17,23H,3,5,7-8H2,1H3,(H,24,25)/t11-,12-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (EP4)


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a 13n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


Citation and Details
More data for this
Ligand-Target Pair
Prostanoid FP receptor


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analys...


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156544
PNG
(CHEMBL3793209)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H21NO5S/c21-15-8-17-12(13(15)9-24-11-4-2-1-3-5-11)6-7-16(25-17)18-20-14(10-26-18)19(22)23/h1-5,10,12-13,15-17,21H,6-9H2,(H,22,23)/t12-,13-,15-,16-,17+/s2
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Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PK2-tagged human EP2 receptor expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin recruitment incubated fo...


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50181506
PNG
(CHEMBL3819038)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCc1cccc(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C23H24Cl2N6O2/c1-2-30(21(33)14-32)20-13-31(29-22(20)17-6-8-18(24)9-7-17)23(28-15-26)27-11-10-16-4-3-5-19(25)12-16/h3-9,12,20,32H,2,10-11,13-14H2,1H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50181513
PNG
(CHEMBL3819237)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C21H19Cl3N6O2/c1-2-29(19(32)11-31)18-10-30(28-20(18)13-3-5-14(22)6-4-13)21(26-12-25)27-15-7-8-16(23)17(24)9-15/h3-9,18,31H,2,10-11H2,1H3,(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50181512
PNG
(CHEMBL3819277)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H21ClF2N6O3/c1-2-30(19(33)12-32)18-11-31(29-20(18)14-6-8-15(23)9-7-14)22(27-13-26)28-16-4-3-5-17(10-16)34-21(24)25/h3-10,18,21,32H,2,11-12H2,1H3,(H,27,28)
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n/an/a 70n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50181509
PNG
(CHEMBL3817930)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(F)c(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C21H19Cl2FN6O2/c1-2-29(19(32)11-31)18-10-30(28-20(18)13-3-5-14(22)6-4-13)21(26-12-25)27-15-7-8-17(24)16(23)9-15/h3-9,18,31H,2,10-11H2,1H3,(H,26,27)
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n/an/a 60n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181506
PNG
(CHEMBL3819038)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCc1cccc(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C23H24Cl2N6O2/c1-2-30(21(33)14-32)20-13-31(29-22(20)17-6-8-18(24)9-7-17)23(28-15-26)27-11-10-16-4-3-5-19(25)12-16/h3-9,12,20,32H,2,10-11,13-14H2,1H3,(H,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


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More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181509
PNG
(CHEMBL3817930)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(F)c(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C21H19Cl2FN6O2/c1-2-29(19(32)11-31)18-10-30(28-20(18)13-3-5-14(22)6-4-13)21(26-12-25)27-15-7-8-17(24)16(23)9-15/h3-9,18,31H,2,10-11H2,1H3,(H,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


Citation and Details
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181512
PNG
(CHEMBL3819277)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H21ClF2N6O3/c1-2-30(19(33)12-32)18-11-31(29-20(18)14-6-8-15(23)9-7-14)22(27-13-26)28-16-4-3-5-17(10-16)34-21(24)25/h3-10,18,21,32H,2,11-12H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


Citation and Details
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181513
PNG
(CHEMBL3819237)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C21H19Cl3N6O2/c1-2-29(19(32)11-31)18-10-30(28-20(18)13-3-5-14(22)6-4-13)21(26-12-25)27-15-7-8-16(23)17(24)9-15/h3-9,18,31H,2,10-11H2,1H3,(H,26,27)
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n/an/a 3.30E+3n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


Citation and Details
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181512
PNG
(CHEMBL3819277)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H21ClF2N6O3/c1-2-30(19(33)12-32)18-11-31(29-20(18)14-6-8-15(23)9-7-14)22(27-13-26)28-16-4-3-5-17(10-16)34-21(24)25/h3-10,18,21,32H,2,11-12H2,1H3,(H,27,28)
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n/an/an/a 540n/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to SMYD2 (unknown origin) by isothermal colorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50181503
PNG
(CHEMBL3819513)
Show SMILES CCCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C23H23ClF2N6O3/c1-2-10-31(20(34)13-33)19-12-32(30-21(19)15-6-8-16(24)9-7-15)23(28-14-27)29-17-4-3-5-18(11-17)35-22(25)26/h3-9,11,19,22,33H,2,10,12-13H2,1H3,(H,28,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181514
PNG
(CHEMBL3819351)
Show SMILES Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1
Show InChI InChI=1/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18)
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n/an/an/a 9.70E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181516
PNG
(CHEMBL3819390)
Show SMILES Nc1nc2[nH]c(SCCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O2S/c9-7-11-5-4(6(15)13-7)10-8(12-5)16-3-1-2-14/h14H,1-3H2,(H4,9,10,11,12,13,15)
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n/an/an/a 6.80E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181517
PNG
(CHEMBL3818353)
Show SMILES Nc1nc2[nH]c(SCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C7H9N5O2S/c8-6-10-4-3(5(14)12-6)9-7(11-4)15-2-1-13/h13H,1-2H2,(H4,8,9,10,11,12,14)
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n/an/an/a 8.92E+4n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181523
PNG
(CHEMBL3819281)
Show SMILES Nc1nc2[nH]c(SCc3ccc(cc3F)C#N)nc2c(=O)[nH]1
Show InChI InChI=1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)
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n/an/an/a 590n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181529
PNG
(CHEMBL3818941)
Show SMILES Cc1cccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1C
Show InChI InChI=1S/C14H15N5OS/c1-7-4-3-5-9(8(7)2)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)
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n/an/an/a 841n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181517
PNG
(CHEMBL3818353)
Show SMILES Nc1nc2[nH]c(SCCO)nc2c(=O)[nH]1
Show InChI InChI=1S/C7H9N5O2S/c8-6-10-4-3(5(14)12-6)9-7(11-4)15-2-1-13/h13H,1-2H2,(H4,8,9,10,11,12,14)
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n/an/an/a 7.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181523
PNG
(CHEMBL3819281)
Show SMILES Nc1nc2[nH]c(SCc3ccc(cc3F)C#N)nc2c(=O)[nH]1
Show InChI InChI=1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)
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n/an/an/a 2.70E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase


(Escherichia coli (strain K12))
BDBM50181529
PNG
(CHEMBL3818941)
Show SMILES Cc1cccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c1C
Show InChI InChI=1S/C14H15N5OS/c1-7-4-3-5-9(8(7)2)6-21-14-16-10-11(18-14)17-13(15)19-12(10)20/h3-5H,6H2,1-2H3,(H4,15,16,17,18,19,20)
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n/an/an/a 6.10E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181514
PNG
(CHEMBL3819351)
Show SMILES Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1
Show InChI InChI=1/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18)
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n/an/an/a 3.60E+3n/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156537
PNG
(CHEMBL3793020)
Show SMILES CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@H](CC[C@H]23)c2nc(cs2)C(O)=O)ccc1Cl
Show InChI InChI=1/C22H26ClNO5S/c1-11(2)14-7-12(3-5-16(14)23)28-9-15-13-4-6-19(29-20(13)8-18(15)25)21-24-17(10-30-21)22(26)27/h3,5,7,10-11,13,15,18-20,25H,4,6,8-9H2,1-2H3,(H,26,27)/t13-,15-,18-,19-,20+/s2
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n/an/an/an/a 2n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay


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Ligand-Target Pair