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39 similar compounds to monomer 50128475

Compile data set for download or QSAR
Wt: 412.5
BDBM86692
Purchase
Wt: 396.4
BDBM50128466
Wt: 412.8
BDBM50128468
Wt: 408.4
BDBM50128469
Wt: 392.4
BDBM50128470
Wt: 446.4
BDBM50128471
Wt: 392.4
BDBM50128472
Wt: 384.5
BDBM50128473
Wt: 372.4
BDBM50128474
Purchase
Wt: 408.4
BDBM50128476
Wt: 342.4
BDBM50128477
Purchase
Wt: 446.4
BDBM50128478
Wt: 378.4
BDBM50128479
Wt: 446.4
BDBM50128482
Wt: 376.8
BDBM50128483
Purchase
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 86692,50128466,50128468,50128469,50128470,50128471,50128472,50128473,50128474,50128476,50128477,50128478,50128479,50128482,50128483   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(HUMAN)
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Leukotriene 2


(HUMAN)
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128478
PNG
(CHEMBL301460 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N2O/c1-14-11-21(30-19-8-5-17(25)6-9-19)20-13-18(26)7-10-22(20)31(14)23(32)15-3-2-4-16(12-15)24(27,28)29/h2-10,12-14,21,30H,11H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128482
PNG
(CHEMBL58694 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N2O/c1-14-12-21(30-19-9-6-17(25)7-10-19)20-13-18(26)8-11-22(20)31(14)23(32)15-2-4-16(5-3-15)24(27,28)29/h2-11,13-14,21,30H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 920n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128476
PNG
(CHEMBL61369 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES COc1ccccc1C(=O)N1[C@H](C)C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc12
Show InChI InChI=1S/C24H22F2N2O2/c1-15-13-21(27-18-10-7-16(25)8-11-18)20-14-17(26)9-12-22(20)28(15)24(29)19-5-3-4-6-23(19)30-2/h3-12,14-15,21,27H,13H2,1-2H3/t15-,21+/m1/s1
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n/an/an/an/a 3.33E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128474
PNG
((4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-17-16-22(25-19-8-4-3-5-9-19)21-10-6-7-11-23(21)26(17)24(27)18-12-14-20(28-2)15-13-18/h3-15,17,22,25H,16H2,1-2H3/t17-,22+/m1/s1
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n/an/an/an/a 1.43E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128473
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1cccc(C)c1
Show InChI InChI=1S/C26H28N2O/c1-17-8-11-22(12-9-17)27-24-16-20(4)28(25-13-10-19(3)15-23(24)25)26(29)21-7-5-6-18(2)14-21/h5-15,20,24,27H,16H2,1-4H3/t20-,24+/m1/s1
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n/an/an/an/a 3.33E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128472
PNG
(CHEMBL294491 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22F2N2O/c1-15-4-3-5-17(12-15)24(29)28-16(2)13-22(21-14-19(26)8-11-23(21)28)27-20-9-6-18(25)7-10-20/h3-12,14,16,22,27H,13H2,1-2H3/t16-,22+/m1/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128470
PNG
(CHEMBL416140 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1C
Show InChI InChI=1S/C24H22F2N2O/c1-15-5-3-4-6-20(15)24(29)28-16(2)13-22(21-14-18(26)9-12-23(21)28)27-19-10-7-17(25)8-11-19/h3-12,14,16,22,27H,13H2,1-2H3/t16-,22+/m1/s1
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n/an/an/an/a 3.19E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128471
PNG
(CHEMBL59557 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H19F5N2O/c1-14-12-21(30-17-9-6-15(25)7-10-17)19-13-16(26)8-11-22(19)31(14)23(32)18-4-2-3-5-20(18)24(27,28)29/h2-11,13-14,21,30H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128469
PNG
(CHEMBL56663 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc12
Show InChI InChI=1S/C24H22F2N2O2/c1-15-13-22(27-19-8-5-17(25)6-9-19)21-14-18(26)7-12-23(21)28(15)24(29)16-3-10-20(30-2)11-4-16/h3-12,14-15,22,27H,13H2,1-2H3/t15-,22+/m1/s1
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n/an/an/an/a 1.14E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128468
PNG
((4-Chloro-phenyl)-[(2R,4S)-6-fluoro-4-(4-fluoro-ph...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N2O/c1-14-12-21(27-19-9-6-17(25)7-10-19)20-13-18(26)8-11-22(20)28(14)23(29)15-2-4-16(24)5-3-15/h2-11,13-14,21,27H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 640n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128466
PNG
(CHEMBL291513 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1F
Show InChI InChI=1S/C23H19F3N2O/c1-14-12-21(27-17-9-6-15(24)7-10-17)19-13-16(25)8-11-22(19)28(14)23(29)18-4-2-3-5-20(18)26/h2-11,13-14,21,27H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50128477
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O/c1-17-16-21(24-19-12-6-3-7-13-19)20-14-8-9-15-22(20)25(17)23(26)18-10-4-2-5-11-18/h2-15,17,21,24H,16H2,1H3/t17-,21+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 19: 6840-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.094
BindingDB Entry DOI: 10.7270/Q2N58MHF
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128483
PNG
((4-Chloro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O/c1-16-15-21(25-19-7-3-2-4-8-19)20-9-5-6-10-22(20)26(16)23(27)17-11-13-18(24)14-12-17/h2-14,16,21,25H,15H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 980n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128477
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O/c1-17-16-21(24-19-12-6-3-7-13-19)20-14-8-9-15-22(20)25(17)23(26)18-10-4-2-5-11-18/h2-15,17,21,24H,16H2,1H3/t17-,21+/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128479
PNG
(CHEMBL57186 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H20F2N2O/c1-15-13-21(26-19-10-7-17(24)8-11-19)20-14-18(25)9-12-22(20)27(15)23(28)16-5-3-2-4-6-16/h2-12,14-15,21,26H,13H2,1H3/t15-,21+/m1/s1
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n/an/an/an/a 1.73E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair