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13 similar compounds to monomer 50181530

Wt: 317.7
BDBM2283
Wt: 487.3
BDBM50181506
Wt: 507.8
BDBM50181502
Wt: 504.9
BDBM50181503
Wt: 404.8
BDBM50181504
Wt: 295.2
BDBM50181514
Wt: 305.3
BDBM50181522
Wt: 309.2
BDBM50181525
Wt: 451.9
BDBM50156537
Wt: 444.3
BDBM50156540
Wt: 477.8
BDBM50156541
Wt: 409.8
BDBM50156542
Wt: 375.4
BDBM50156544

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 2283,50181506,50181502,50181503,50181504,50181514,50181522,50181525,50156537,50156540,50156541,50156542,50156544   
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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2283
PNG
(5Cl3PhS-2IndolCONH2 inhibitor 9b | methyl 5-chloro...)
Show SMILES COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
Show InChI InChI=1S/C16H12ClNO2S/c1-20-16(19)14-15(21-11-5-3-2-4-6-11)12-9-10(17)7-8-13(12)18-14/h2-9,18H,1H3
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Article
PubMed
n/an/a 156n/an/an/an/a8.2n/a



Merck Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 36: 1291-4 (1993)

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))
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))
BDBM50156541
PNG
(CHEMBL3794302)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(c1)C(F)(F)F)c1nc(cs1)C(O)=O
Show InChI InChI=1/C20H19ClF3NO5S/c21-13-3-1-9(5-12(13)20(22,23)24)29-7-11-10-2-4-16(30-17(10)6-15(11)26)18-25-14(8-31-18)19(27)28/h1,3,5,8,10-11,15-17,26H,2,4,6-7H2,(H,27,28)/t10-,11-,15-,16-,17+/s2
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n/an/an/an/a 0.110n/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))
BDBM50156542
PNG
(CHEMBL3793786)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H20ClNO5S/c20-10-1-3-11(4-2-10)25-8-13-12-5-6-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-4,9,12-13,15-17,22H,5-8H2,(H,23,24)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a 3.90n/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))
BDBM50156542
PNG
(CHEMBL3793786)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H20ClNO5S/c20-10-1-3-11(4-2-10)25-8-13-12-5-6-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-4,9,12-13,15-17,22H,5-8H2,(H,23,24)/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))
BDBM50156541
PNG
(CHEMBL3794302)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)c(c1)C(F)(F)F)c1nc(cs1)C(O)=O
Show InChI InChI=1/C20H19ClF3NO5S/c21-13-3-1-9(5-12(13)20(22,23)24)29-7-11-10-2-4-16(30-17(10)6-15(11)26)18-25-14(8-31-18)19(27)28/h1,3,5,8,10-11,15-17,26H,2,4,6-7H2,(H,27,28)/t10-,11-,15-,16-,17+/s2
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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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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))
BDBM50156542
PNG
(CHEMBL3793786)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H20ClNO5S/c20-10-1-3-11(4-2-10)25-8-13-12-5-6-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-4,9,12-13,15-17,22H,5-8H2,(H,23,24)/t12-,13-,15-,16-,17+/s2
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n/an/an/an/a 3.90n/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
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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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 EP2 subtype (EP2)


(Homo sapiens (Human))
BDBM50156542
PNG
(CHEMBL3793786)
Show SMILES O[C@@H]1C[C@@H]2O[C@H](CC[C@@H]2[C@H]1COc1ccc(Cl)cc1)c1nc(cs1)C(O)=O
Show InChI InChI=1/C19H20ClNO5S/c20-10-1-3-11(4-2-10)25-8-13-12-5-6-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-4,9,12-13,15-17,22H,5-8H2,(H,23,24)/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
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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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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n/an/an/an/a>1.00E+4n/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM50181502
PNG
(CHEMBL3818510)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC
Show InChI InChI=1/C22H21Cl3N6O2/c1-3-30(20(32)12-33-2)19-11-31(29-21(19)14-4-6-15(23)7-5-14)22(27-13-26)28-16-8-9-17(24)18(25)10-16/h4-10,19H,3,11-12H2,1-2H3,(H,27,28)
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n/an/a 30n/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))
BDBM50181504
PNG
(CHEMBL3818898)
Show SMILES CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H25ClN6O2/c1-3-5-10-22-19(23-13-21)26-11-16(25(4-2)17(28)12-27)18(24-26)14-6-8-15(20)9-7-14/h6-9,16,27H,3-5,10-12H2,1-2H3,(H,22,23)
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n/an/a 30n/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))
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
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...


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


(Homo sapiens (Human))
BDBM50181504
PNG
(CHEMBL3818898)
Show SMILES CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H25ClN6O2/c1-3-5-10-22-19(23-13-21)26-11-16(25(4-2)17(28)12-27)18(24-26)14-6-8-15(20)9-7-14/h6-9,16,27H,3-5,10-12H2,1-2H3,(H,22,23)
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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...


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


(Homo sapiens (Human))
BDBM50181502
PNG
(CHEMBL3818510)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC
Show InChI InChI=1/C22H21Cl3N6O2/c1-3-30(20(32)12-33-2)19-11-31(29-21(19)14-4-6-15(23)7-5-14)22(27-13-26)28-16-8-9-17(24)18(25)10-16/h4-10,19H,3,11-12H2,1-2H3,(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...


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-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181522
PNG
(CHEMBL3819098)
Show SMILES Cc1cc(F)ccc1CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C13H12FN5OS/c1-6-4-8(14)3-2-7(6)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 1.97E+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-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50181525
PNG
(CHEMBL3818521)
Show SMILES Nc1nc2[nH]c(SCc3ccc(F)cc3F)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H9F2N5OS/c13-6-2-1-5(7(14)3-6)4-21-12-16-8-9(18-12)17-11(15)19-10(8)20/h1-3H,4H2,(H4,15,16,17,18,19,20)
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n/an/an/a 260n/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))
BDBM50181522
PNG
(CHEMBL3819098)
Show SMILES Cc1cc(F)ccc1CSc1nc2c(nc(N)[nH]c2=O)[nH]1
Show InChI InChI=1S/C13H12FN5OS/c1-6-4-8(14)3-2-7(6)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)
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n/an/an/a 1.63E+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))
BDBM50181525
PNG
(CHEMBL3818521)
Show SMILES Nc1nc2[nH]c(SCc3ccc(F)cc3F)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H9F2N5OS/c13-6-2-1-5(7(14)3-6)4-21-12-16-8-9(18-12)17-11(15)19-10(8)20/h1-3H,4H2,(H4,15,16,17,18,19,20)
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n/an/an/a 1.40E+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
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


Citation and Details
More data for this
Ligand-Target Pair